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• Artimisinic Acid

IUPAC Name: 2-[(4R)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid | CAS Registry Number: 80286-58-4
Synonyms: Artemisic acid, Artemisinic acid, CID124033, 1-Naphthaleneacetic acid, 1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-alpha-methylene-, (1R-(1alpha,4beta,4abeta,8abeta))-

Molecular Formula:	C₁₅H₂₂O₂	Molecular Weight:	234.333980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PLQMEXSCSAIXGB-GOHLOCJQSA-N

• Asarone

IUPAC Name: 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene | CAS Registry Number: 2883-98-9
Synonyms: beta-Asarone, Etherophenol, Asaron, trans-Isoasaron, Asarum camphor, alpha-Asarone, cis-Asarone, trans-Isoasarone, Asarabacca camphor, TRANS-ASARONE, 221074_ALDRICH, CCRIS 1596, HSDB 3464, EINECS 220-743-6, BRN 1910606, cis-1-Propenyl-2,4,5-trimethoxybenzene, cis-2,4,5-Trimethoxy-1-propenylbenzene, AI3-36725, (E)-1,2,4-Trimethoxy-5-prop-1-enylbenzene, (E)-1,2,4-Trimethoxy-5-(1-propenyl)benzene

Molecular Formula:	C₁₂H₁₆O₃	Molecular Weight:	208.253640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RKFAZBXYICVSKP-WAYWQWQTSA-N

• Asiatic Acid

IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 464-92-6
Synonyms: Asiatic acid, Ambap908, CID119034, NSC 166063, NSC-166063, LS-193512, C08617, Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4alpha)-, Urs-12en-28-oic acid, 2,3,23-trihydroxy-, (2alpha, 3beta, 4alpha)-, 0AS

Molecular Formula:	C₃₀H₄₈O₅	Molecular Weight:	488.699120 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: JXSVIVRDWWRQRT-UYDOISQJSA-N

• Asiaticoside

IUPAC Name: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate | CAS Registry Number: 16830-15-2
Synonyms: Asiaticosid, Emdecassol, Madecassol, Dermatologico, Centelase, Blastoestimulina, Ba 2742, CCRIS 8995, EINECS 240-851-7, NSC 166062, BRN 0078195, C48H78O19, NSC166062, LS-160852, 4-17-00-03627 (Beilstein Handbook Reference), (O-alpha-L-Rhamnopyranoxyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)-2alpha,3beta,23-trihydroxy-12-ursen-28-oat, 2alpha,3beta,23-Trihydroxy-urs-12-en-28-saeure(O-alpha-L-rhamnopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)ester, O-6-Deoxy-alpha-L-mannopyranosyl-(1.4)-O-beta-D-glucopyranosyl-(1.6)-beta-D-glucopyranosyl (2alpha,3beta,4alpha)-2,3,23-trihydroxyurs-12-en-28-oate, O-6-Desoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl 2alpha,3beta,23-trihydroxy-12-ursen-28-at, Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha)-

Molecular Formula:	C₄₈H₇₈O₁₉	Molecular Weight:	959.121520 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	19

InChIKey: WYQVAPGDARQUBT-UHFFFAOYSA-N

• Astilbin

IUPAC Name: (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one | CAS Registry Number: 29838-67-3
Synonyms: Neoastilbin, MLS002473045, CHEBI:27669, (2S,3S)-Taxifolin 3-rhamnoside, CID442437, SMR001397149, C09803, (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside

Molecular Formula:	C₂₁H₂₂O₁₁	Molecular Weight:	450.392780 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	11

InChIKey: ZROGCCBNZBKLEL-MFSALPCASA-N

• Astragaloside II

Synonyms: N1891

Molecular Formula:	C₄₃H₆₈O₁₆	Molecular Weight:	840.990420 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	16

InChIKey: GBPDDYORNLOZID-YVEOHGMNSA-N

• Astragalus Extract

Synonyms: C41H68O14, LS-177832, 3beta,6alpha,16beta,20R,24S; astragaloside IV of astragaloside A, beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl

Molecular Formula:	C₄₁H₆₈O₁₄	Molecular Weight:	784.970220 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	14

InChIKey: QMNWISYXSJWHRY-CSXKERSZSA-N

• Astragloside II

Synonyms: beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-3-((2-O-acetyl-beta-D-xylopyranosyl)oxy)-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl

Molecular Formula:	C₄₃H₇₀O₁₅	Molecular Weight:	827.006900 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	15

InChIKey: LFJNPJBIDAQEHH-BXPIHXSGSA-N

• Atractylenolide I

IUPAC Name: (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one | CAS Registry Number: 73069-13-3
Synonyms: CHEMBL449520, Atractylenolide-1, AC1NT03W, SCHEMBL1898423, AKOS025119313, X1093, C17885, (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one

Molecular Formula:	C₁₅H₁₈O₂	Molecular Weight:	230.302220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZTVSGQPHMUYCRS-SWLSCSKDSA-N

• Atractylenolide III

IUPAC Name: (4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one | CAS Registry Number: 73030-71-4
Synonyms: CHEBI:543914, CID155948, Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, (4aS,8aR,9aS)-

Molecular Formula:	C₁₅H₂₀O₃	Molecular Weight:	248.317500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FBMORZZOJSDNRQ-GLQYFDAESA-N

• Atractyloside A

IUPAC Name: (3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one | CAS Registry Number: 126054-77-1
Synonyms: HY-N0237, ACN-035222, CS-2923, X1094, C17858

Molecular Formula:	C₂₁H₃₆O₁₀	Molecular Weight:	448.504540 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	10

InChIKey: QNBLVYVBWDIWDM-BSLJOXIBSA-N

• Atracylodin

IUPAC Name: 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan | CAS Registry Number: 55290-63-6
Synonyms: Atractylodin, CID5321047, (E,E)-2-(1,7-Nonadiene-3,5-diynyl)furan, Furan, 2-(1,7-nonadiene-3,5-diynyl)-, (E,E)-

Molecular Formula:	C₁₃H₁₀O	Molecular Weight:	182.217900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: GRBKWAXRYIITKG-QFMFQGICSA-N

• Aucubin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 479-98-1
Synonyms: Ambap2262, MEGxp0_001729, 55561_FLUKA, ACon1_002452, EINECS 207-540-8, AIDS031379, NSC 407293, AIDS-031379, CID91458, LMPR01020107, NSC407293, ZINC04098334, NCGC00169833-01, LS-183147, C09771, 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Molecular Formula:	C₁₅H₂₂O₉	Molecular Weight:	346.329780 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-N

• Aurantio-Obtusin

IUPAC Name: 1,3,7-trihydroxy-2,8-dimethoxy-6-methylanthracene-9,10-dione | CAS Registry Number: 67979-25-3
Synonyms: Tripropylsulfonium bromide, CHEBI:37386, CID155011, 1,3,7-trihydroxy-2,8-dimethoxy-6-methylanthracene-9,10-dione, 9,10-Anthracenedione, 1,3,7-trihydroxy-2,8-dimethoxy-6-methyl-

Molecular Formula:	C₁₇H₁₄O₇	Molecular Weight:	330.288860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: RNXZPKOEJUFJON-UHFFFAOYSA-N

• Avicularin

IUPAC Name: 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | CAS Registry Number: 572-30-5
Synonyms: LMPK12112167, Quercetin 3-alpha-L-arabinofuranoside, CID5490064, 4H-1-Benzopyran-4-one, 3-(alpha-L-arabinofuranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-

Molecular Formula:	C₂₀H₁₈O₁₁	Molecular Weight:	434.350320 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	11

InChIKey: BDCDNTVZSILEOY-UXYNSRGZSA-N

• Baccatine III

Synonyms: Baccatin III, Baccatin- III, B8154_SIGMA, CHEBI:32898, NSC 330753, ZINC04102268, LS-183707, C11900, 7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha))-, [2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate

Molecular Formula:	C₃₁H₃₈O₁₁	Molecular Weight:	586.626820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	11

InChIKey: OVMSOCFBDVBLFW-VHLOTGQHSA-N

• Backuchiol

IUPAC Name: 4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol | CAS Registry Number: 10309-37-2
Synonyms: Bakuchiol, Drupanol, (+)-Bakuchiol, C18H24O, CHEBI:529074, AIDS046581, AIDS-046581, NSC671195, ZINC01644304, CID5468522, LS-104607, 4-(3-Ethenyl-3,7-dimethyl-1,6-octadienyl)phenol, (S)-4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenol, Phenol, 4-(3-ethenyl-3,7-dimethyl-1,6-octadienyl)-, (S-(E))-, Phenol, 4-[(1E,3S)-3-ethenyl-3,7-dimethyl-1,6-octadienyl]-

Molecular Formula:	C₁₈H₂₄O	Molecular Weight:	256.382560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LFYJSSARVMHQJB-QIXNEVBVSA-N

• Baicalein

IUPAC Name: 5,6,7-trihydroxy-2-phenylchromen-4-one | CAS Registry Number: 491-67-8
Synonyms: baicalein, 5,6,7-Trihydroxyflavone, Biacalein, Sho-saiko-to, nchembio.65-comp3, Spectrum_000427, Tocris-1761, SpecPlus_000758, Spectrum2_000466, Spectrum3_001608, Spectrum4_000537, Spectrum5_001418, Oprea1_765614, BSPBio_003215, KBioGR_001173, KBioSS_000907, DivK1c_006854, SPECTRUM1504002, SPBio_000572, NSC661431

Molecular Formula:	C₁₅H₁₀O₅	Molecular Weight:	270.236900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: FXNFHKRTJBSTCS-UHFFFAOYSA-N

• Baicalin

IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | CAS Registry Number: 21967-41-9
Synonyms: Baicalein 7-O-glucuronide, Baicalein-7-D-glucuronide, 572667_ALDRICH, CHEBI:2981, STOCK1N-21299, TJN-151, AIDS001402, 7-D-Glucuronic acid-5,6-dihydroxyflavone, AIDS-001402, CID64982, LS-71490, C10025, 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid, beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, 100647-26-5, 27462-75-5, 31564-28-0

Molecular Formula:	C₂₁H₁₈O₁₁	Molecular Weight:	446.361020 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N

• Bakkenolide

IUPAC Name: (2R,3aR,7S,7aR)-7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one | CAS Registry Number: 19906-72-0
Synonyms: Bakkenolide A, Fukinanolid, Bakkenolid A, FUKINANOLIDE, CID442173, NSC 292655, C09350, Spiro(furan-3(2H),2'-(2H)inden)-2-one, decahydro-3'a,4'-dimethyl-4-methylene-, (2'R-(2'alpha,3'aalpha,4'alpha,7'aalpha))- (9CI), Spiro(furan-3(2H),2'-indan)-2-one, 3'a,4,4',5,5',6',7',7'abeta-octahydro-3'abeta,4'beta-dimethyl-4-methylene-, (2'R)- (8CI)

Molecular Formula:	C₁₅H₂₂O₂	Molecular Weight:	234.333980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OVXAYHNZXBOVPV-QMGNLALYSA-N

• Bavachin

IUPAC Name: 7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 19879-32-4
Synonyms: AC1NT0TY, SureCN601740, AGN-PC-000SXC, CTK8F7925, LMPK12140039, AG-L-64979, FT-0689312, (2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Molecular Formula:	C₂₀H₂₀O₄	Molecular Weight:	324.370400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OAUREGNZECGNQS-UHFFFAOYSA-N

• Bavachinin A

IUPAC Name: 2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 19879-30-2
Synonyms: Bavachinin, 7-O-Methylbavachin, BRN 3629340, CID122835, LMPK12140040, LS-39562, ST5331516, 4'-Hydroxy-7-methoxy-6-(3-methyl-2-butenyl)flavanone, 5-18-04-00132 (Beilstein Handbook Reference), Flavanone, 4'-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)-, Flavanone, 4'-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)- (8CI), 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-, (S)-

Molecular Formula:	C₂₁H₂₂O₄	Molecular Weight:	338.396980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VOCGSQHKPZSIKB-UHFFFAOYSA-N

• BELLIDIFOLIN,98%

IUPAC Name: 1,5,8-trihydroxy-3-methoxyxanthen-9-one | CAS Registry Number: 2798-25-6
Synonyms: Bellidifolin, Bellidifoline, Bellidifolium, Xanthone der., CCRIS 5471, MLS002473044, CHEBI:411736, AIDS011180, AIDS-011180, BRN 0288441, 3-Methoxy-1,5,8-trihydroxyxanthone, 3-Methoxy-1,5,8-trihydroxyxanthen-9-one, CID5281623, 3-Methoxy-1,5,8-trihyroxyxanthen-9-one, SMR001397148, Xanthen-9-one, 3-methoxy-1,5,8-trihydroxy-, 1,5,8-Trihydroxy-3-methoxy-9H-xanthen-9-one, 1,5,8-Trihydroxy-3-methoxy-xanthen-9-one, LS-162496, C10053

Molecular Formula:	C₁₄H₁₀O₆	Molecular Weight:	274.225600 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: JDIORNFCMMYMLF-UHFFFAOYSA-N

• Benzaldehyde

IUPAC Name: benzaldehyde | CAS Registry Number: 100-52-7
Synonyms: benzaldehyde, Benzoic aldehyde, Benzenecarbonal, Phenylmethanal, Artificial almond oil, Benzenemethylal, Benzaldehyde FFC, Benzoyl hydride, benzanoaldehyde, Benzadehyde, Oil Of bitter almond, Benzenecarboxaldehyde, Benzene methylal, Benzene carboxaldehyde, Ben zoyl hydride, Benzene carbaldehyde, Benzaldehyde [USAN], Benzaldehyde (NF), Caswell No. 076, Benzaldehyde (natural)

Molecular Formula:	C₇H₆O	Molecular Weight:	106.121940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N

• Benzene Carbonic Acid

IUPAC Name: benzoic acid | CAS Registry Number: 65-85-0
Synonyms: benzoic acid, phenylformic acid, benzoate, Dracylic acid, benzenecarboxylic acid, Carboxybenzene, Benzeneformic acid, Retardex, Benzoesaeure GK, Benzoesaeure GV, Retarder BA, Tenn-Plas, Salvo liquid, Solvo powder, Acide benzoique, Unisept BZA, Benzenemethanoic acid, Phenylcarboxylic acid, Flowers of benzoin, Benzoesaeure

Molecular Formula:	C₇H₆O₂	Molecular Weight:	122.121340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N

• BENZOYLACONINE

Synonyms: Benzoylaconine, Picraconitine, Pikraconitin, Benzaconine, Isaconitine, BRN 0073066, LS-109737, 4-21-00-02901 (Beilstein Handbook Reference)

Molecular Formula:	C₃₂H₄₅NO₁₀	Molecular Weight:	603.700400 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: DHJXZSFKLJCHLH-LPDAJWQZSA-N

• Benzoylhypaconine

Synonyms: Benzoylhypaconitine, N1943

Molecular Formula:	C₃₁H₄₃NO₉	Molecular Weight:	573.674420 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: MDFCJNFOINXVSU-CULIVVSNSA-N

• BENZOYLMESACONINE

Synonyms: Benzoylmesaconine, Mesaconine 14-benzoate, BRN 0072534, 4-21-00-02898 (Beilstein Handbook Reference), Aconitane-3,8,13,14,15-pentol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

Molecular Formula:	C₃₁H₄₃NO₁₀	Molecular Weight:	589.673820 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: PULWZCUZNRVAHT-CESOWLAWSA-N

• Benzoylpaeoniflorin

Synonyms: CID170087, beta-D-Glucopyranoside, 5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, 6-benzoate, (1aR-(1aalpha,2beta,3aalpha,5alpha,5aalpha,5balpha))-

Molecular Formula:	C₃₀H₃₂O₁₂	Molecular Weight:	584.567880 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	12

InChIKey: KHRHASRIMPQOPU-PAMKKNMFSA-N

• Berberin hydrochloride

Synonyms: Berberine chloride hydrate, 68030-18-2, 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride hydrate, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, monohydrate, Kyoberin (TN), 9,10-dimethoxy-5,6-dihydro-2H-1,3-dioxolano[4,5-g]isoquinolino[3,2-a]isoquinol ine, chloride, hydrate, AC1L4DKI, SureCN1373393, CTK2F7646, MolPort-000-838-171, BB_NC-0686, Berberine chloride hydrate (JP16), SBB057764, AKOS015895426, AC-4573, AG-G-59091, AK140889, FT-0631162, ST51006968, D01250

Molecular Formula:	C₂₀H₂₀ClNO₅	Molecular Weight:	389.829500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: BPNJXFPOPCFZOC-UHFFFAOYSA-M

• Berberine

Synonyms: berberine, Berberin, Umbellatine, Berbericine, Umbellatin, Berbinium, Majarine, Thalsine, Coptis rhizome, Umbellatine (6CI), Coptis rhizome (TN), nchembio.105-comp4, nchembio.123-comp2, Powdered coptis rhizome, Spectrum_001110, Coptis rhizome (JP15), Prestwick0_000586, Prestwick1_000586, Prestwick2_000586, Prestwick3_000586

Molecular Formula:	C₂₀H₁₈NO₄+	Molecular Weight:	336.361220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YBHILYKTIRIUTE-UHFFFAOYSA-N

• BERBERRUBINE

Synonyms: Beroline chloride, Berberrubine chloride, 9-Berberoline chloride, Berberrubine hydrochloride, Berberrubine, hydrochloride, NSC96347, CID72703, LS-33661, BERBERRUBINE, HYDROCHLORIDE, DIHYDRATE, 5,6-Dihydro-9-hydroxy-10-methoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9-hydroxy-10-methoxy-, chloride, Berbinium, 7,8,13,13a-tetradehydro-9-hydroxy-10-methoxy-2,3-(methylenedioxy)-, chloride, Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizium, 5,6-dihydro-9-hydroxy-10-methoxy-, chloride,, Berbinium, 7,8,13,13a-tetradehydro-9-hydroxy-10-methoxy-2,3-(methylenedioxy)-, chloride (8CI)

Molecular Formula:	C₁₉H₁₆ClNO₄	Molecular Weight:	357.787640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: GYFSYEVKFOOLFZ-UHFFFAOYSA-N

• Bergapten

IUPAC Name: 4-methoxyfuro[3,2-g]chromen-7-one | CAS Registry Number: 484-20-8
Synonyms: 5-Methoxypsoralen, bergaptene, Heraclin, Majudin, Pentaderm, Psoraderm, BERGAPTAN, Isopimpinellin, Bergapten(e), O-Methylbergaptol, 5-Methoxy psoralen, Pentaderm (TN), 5-Methoxyfuranocoumarin, 5-Mop, Spectrum_000794, Spectrum2_000534, Spectrum3_000663, Spectrum4_001478, Spectrum5_000155, 5-Methoxy-6,7-furanocoumarin

Molecular Formula:	C₁₂H₈O₄	Molecular Weight:	216.189520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BGEBZHIAGXMEMV-UHFFFAOYSA-N

• Bergenin

IUPAC Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one | CAS Registry Number: 477-90-7
Synonyms: bergenin, Bergenin (JAN), Bergenin [JAN], MLS001213180, AIDS031337, BB_NC-1749, AIDS-031337, CID66065, NSC383465, NSC661749, ZINC04046820, 477-90-7 (ANYDROUS), SMR000542844, C09919, D01040, 3,4,4a,10b-Tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano(3,2-c)(2)benzopyran-6(H)-one, 3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one, 4-Methoxy-2-(tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)pyran-2-yl)alpha-resorcylic acid gamma lactone, 5956-63-8, Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-

Molecular Formula:	C₁₄H₁₆O₉	Molecular Weight:	328.271440 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: YWJXCIXBAKGUKZ-HJJNZUOJSA-N

• Beta Carotene

IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene | CAS Registry Number: 7235-40-7
Synonyms: beta-carotene, beta,beta-Carotene, Carotaben, Solatene, beta Carotene, Provitamin A, Provatene, Serlabo, Betacarotene, Vetoron, .beta. Carotene, Solatene (caps), trans-B-Carotene, Karotin [Czech], beta-Karotin, Food orange 5, b-Carotene, beta;-Carotene, .beta.-Carotene, Natural Yellow 26

Molecular Formula:	C₄₀H₅₆	Molecular Weight:	536.872640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: OENHQHLEOONYIE-JLTXGRSLSA-N

• Beta Sitosterol

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 83-46-5
Synonyms: Sitosterol, BETA-SITOSTEROL, Quebrachol, Angelicin, Cinchol, Cupreol, Rhamnol, Harzol, Triastonal, Sitosterol beta, Sito-Lande, .beta.Sitosterin, .beta.Sitosterol, Steroids, hydroxy, Refined soy sterol, .beta.-Sitosterin, .beta.-Sitosterol, Angelicin (steroid), alpha-Dihydrofucosterol, alpha.Dihydrofucosterol

Molecular Formula:	C₂₉H₅₀O	Molecular Weight:	414.706700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KZJWDPNRJALLNS-VJSFXXLFSA-N

• beta-D-Fructopyranose

IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol | CAS Registry Number: 7660-25-5
Synonyms: fructosteril, laevoral, laevosan, levugen, Frutabs, Laevuflex, D-(-)-Fructose, D-(-)-Levulose, Fructopyranose, beta-D-, Fructose, pyranose form, UNII-R73GS1TJE0, HSDB 526, CHEBI:41005, MolPort-001-786-790, CID24310, BRN 1423189, ZINC03861095, LS-69753, F0060, 4-01-00-04402 (Beilstein Handbook Reference)

Molecular Formula:	C₆H₁₂O₆	Molecular Weight:	180.155880 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: LKDRXBCSQODPBY-ARQDHWQXSA-N

• beta-Hederin

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | CAS Registry Number: 35790-95-5
Synonyms: .beta.-Hederin, C08955, AC1L9BY5, CHEMBL502407, (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.alpha.-L-arabinopyranosyl]oxy]-, (3.beta.)-

Molecular Formula:	C₄₁H₆₆O₁₁	Molecular Weight:	734.956140 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: IBAJNOZMACNWJD-HVUPOBLPSA-N

• Betaine Base, Anhydrous

IUPAC Name: 2-(trimethylazaniumyl)acetate | CAS Registry Number: 107-43-7
Synonyms: betaine, glycine betaine, oxyneurine, lycine, Abromine, Glycylbetaine, Trimethylglycine, Trimethylglycocoll, Jortaine, acidin-pepsin, Glycocoll betaine, alpha-Earleine, Cystadane, Rubrine C, Aminocoat, Greenstim, Betafin, FinnStim, Loramine AMB 13, Betaine solution

Molecular Formula:	C₅H₁₁NO₂	Molecular Weight:	117.146340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KWIUHFFTVRNATP-UHFFFAOYSA-N

• Betaine Hydrochloride

IUPAC Name: carboxymethyl(trimethyl)azanium chloride | CAS Registry Number: 590-46-5
Synonyms: Betaine hydrochloride, Betaine chloride, Acidogeno, Acipepsol, Pluchine, Achylin, Acinorm, Acidin, Acidol, Acidol-Pepsin, Aciventral forte, Cystadane, Cystdane, Mixture Name, ACIDINE, Acidol hydrochloride, Cystdane (TN), Lycine hydrochloride, Rubrine C hydrochloride, component of Normacid

Molecular Formula:	C₅H₁₂ClNO₂	Molecular Weight:	153.607280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HOPSCVCBEOCPJZ-UHFFFAOYSA-N

• Betulin

IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol | CAS Registry Number: 473-98-3
Synonyms: Betulinol, Trochol, Betuline, Betulol, Messagenin, Triterpenoid, Betulinic alcohol, Betulin, 23, Ambap4788, Prestwick3_000990, BSPBio_001059, NSC 4644, B9757_SIGMA, Lup-20(29)-ene-3beta,28-diol, BPBio1_001165, MEGxp0_001726, ACon1_000091, EINECS 207-475-5, Lup-20(30)-ene-3beta,28-diol, NSC4644

Molecular Formula:	C₃₀H₅₀O₂	Molecular Weight:	442.716800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: FVWJYYTZTCVBKE-ROUWMTJPSA-N

• Betulin Aldehyde

IUPAC Name: 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde | CAS Registry Number: 13159-28-9
Synonyms: BETULINALDEHYDE, NSC250423, CID317607, FL 155

Molecular Formula:	C₃₀H₄₈O₂	Molecular Weight:	440.700920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FELCJAPFJOPHSD-UHFFFAOYSA-N

• Betulinic Acid

IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid | CAS Registry Number: 472-15-1
Synonyms: betulinic acid, Mairin, Betulic acid, Prestwick_95, Betulinic Acid, 24, Prestwick0_000417, Prestwick1_000417, Prestwick2_000417, Prestwick3_000417, CCRIS 6748, BSPBio_000374, BSPBio_001587, MLS000728510, SPBio_002313, NSC677578, 855057_ALDRICH, BPBio1_000412, EINECS 207-448-8, AIDS005859, NSC 113090

Molecular Formula:	C₃₀H₄₈O₃	Molecular Weight:	456.700320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-N

• Betulonic acid

IUPAC Name: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid | CAS Registry Number: 4481-62-3
Synonyms: 3-Deoxy-3-oxo-betulinic acid, CHEBI:171232, AIDS051817, AIDS-051817, CID122844, 3-Oxolup-20(29)-en-28-oic acid, Lup-20(29)-en-28-oic acid, 3-oxo-, (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-icosahydro-cyclopenta[a]chrysene-3a-carboxylic acid

Molecular Formula:	C₃₀H₄₆O₃	Molecular Weight:	454.684440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SLJTWDNVZKIDAU-SVAFSPIFSA-N

• Bilirubin

IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | CAS Registry Number: 635-65-4
Synonyms: bilirubin, Hematoidin, Hemetoidin, Bilirubin IX-alpha, Bilirubin IXalpha, Principal bile pigment, Spectrum5_000410, BSPBio_002531, B4126_SIGMA, SPECTRUM1500857, STOCK1N-16503, 14370_FLUKA, CHEBI:16990, EINECS 211-239-7, NSC 26685, S00334a, BRN 0074376, HSCI1_000394, AI3-23078, SDCCGMLS-0066651.P001

Molecular Formula:	C₃₃H₃₆N₄O₆	Molecular Weight:	584.662140 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: BPYKTIZUTYGOLE-IFADSCNNSA-N

• Bilobetin

IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 521-32-4
Synonyms: AC1NST1Z, 4'-Monomethylamentoflavone, Ambap521-32-4, CHEMBL378188, CHEBI:449099, 3''',8-Biflavone, 4',5,5'',7,7''-pentahydroxy-4'''-methoxy-, 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Molecular Formula:	C₃₁H₂₀O₁₀	Molecular Weight:	552.484500 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	10

InChIKey: IWEIJEPIYMAGTH-UHFFFAOYSA-N

• Biochanin A

IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 491-80-5
Synonyms: biochanin A, Biochanin, 4'-Methylgenistein, olmelin, Biochanine A, Biochanin-A, Genistein 4-methyl ether, Biochanin A (BCA), Spectrum_000195, 5,7-Dihydroxy-4'-methoxyisoflavone, Spectrum2_000047, Spectrum3_001098, Spectrum4_001927, Spectrum5_001624, Genistein 4'-methyl ether, biochanin A, 14C-labeled, CCRIS 5449, Oprea1_038096, BSPBio_002776, KBioGR_002274

Molecular Formula:	C₁₆H₁₂O₅	Molecular Weight:	284.263480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: WUADCCWRTIWANL-UHFFFAOYSA-N

• Bisdemethoxycurcumin

IUPAC Name: (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione | CAS Registry Number: 33171-05-0
Synonyms: Curcumin III, Didemethoxycurcumin, bisdemethoxy-curcumin, Bis-demethoxycurcumin, BHCMT, Bis(4-hydroxycinnamoyl)methane, Bis(p-hydroxycinnamoyl)methane, CHEBI:269845, NSC687839, AIDS110024, AIDS-110024, CID5315472, B3347, 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-, C034786, C475935, 1,7-Bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, BRD-K37445107-001-01-9, (1E,6E)-1,7-Bis-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione, 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-, (1E,6E)-

Molecular Formula:	C₁₉H₁₆O₄	Molecular Weight:	308.327940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PREBVFJICNPEKM-YDWXAUTNSA-N

• Boldine dimethylether

Synonyms: Glaucine, Bromcholitin, d-Glaucine, Glauvent, Glaucine fumarate, Boldine dimethyl ether, (+)-Glaucine, S-(+)-Glaucine, glaucine, (S)-isomer, GLAUCINE,(D), NSC34396, C21H25NO4, AIDS011385, BB_NC-0833, AIDS-011385, CID16754, EINECS 207-501-5, NSC 34396, LS-1284, 1,2,9,10-Tetramethoxy-6a-alpha-aporphine

Molecular Formula:	C₂₁H₂₅NO₄	Molecular Weight:	355.427500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: RUZIUYOSRDWYQF-HNNXBMFYSA-N

• Borneol

IUPAC Name: 1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol | CAS Registry Number: 507-70-0
Synonyms: d-Borneol, Isoborneol, Sumatra camphor, Borneocamphor, endo-2-Bornanol, Borneo camphor, Bornyl alcohol, (+)-Borneol, L-Borneol, Endo-2-camphanol, (-)-Borneol, Endo-2-hydroxycamphane, (1R,2S,4R)-Borneol, BORNEOL, (L), CCRIS 6550, 1,7,7-trimethylnorbornan-2-ol, CHEBI:28093, EINECS 207-352-6, (1R,2S,4R)-(+)-Borneol, (1S,2R,4S)-(-)-Borneol

Molecular Formula:	C₁₀H₁₈O	Molecular Weight:	154.249320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DTGKSKDOIYIVQL-UHFFFAOYSA-N