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Sichuan Weikeqi Biological Technology Co., Ltd.

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Profile: Sichuan Weikeqi Biological Technology Co., Ltd. is a manufacturer of higenamine, triptophenolide, piceatannol and hydroxygenkwanin products.

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• Strychnine
Synonyms: strychnine, Strychnin, Strychnidin-10-one, NCIStruc1_001823, NCIStruc2_000542, (−)-Strychnine, S0532_SIGMA, 45661_RIEDEL, MEGxp0_001768, CHEBI:28973, BB_NC-0734, CID441071, PDSP2_000441, SBB006463, ST057252, C06522, InChI=1/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H, STR

Molecular Formula: C21H22N2O2Molecular Weight: 334.411580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QMGVPVSNSZLJIA-FVWCLLPLSA-N

• Succinic Acid
IUPAC Name: butanedioic acid | CAS Registry Number: 110-15-6
Synonyms: succinic acid, butanedioic acid, Asuccin, Bernsteinsaure, Amber acid, succinate, Katasuccin, Wormwood, Wormwood acid, ethylenesuccinic acid, Butandisaeure, Dihydrofumaric acid, succ, Acidum succinicum, Butanedionic acid, Spirit of amber, Bernsteinsaeure, Succinellite, Ammonium succinate, acide succinique

Molecular Formula: C4H6O4Molecular Weight: 118.088040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KDYFGRWQOYBRFD-UHFFFAOYSA-N

• Sweroside
IUPAC Name: (4aS,5R,6S)-5-ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one | CAS Registry Number: 14215-86-2
Synonyms: MEGxp0_000813, ACon0_001457, ACon1_000233, CID161036, NCGC00180755-01, 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, (4aS-(4aalpha,5beta,6alpha))-

Molecular Formula: C16H22O9Molecular Weight: 358.340480 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: VSJGJMKGNMDJCI-ZASXJUAOSA-N

• Swertiamarin
IUPAC Name: (4aR,5R,6S)-5-ethenyl-4a-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-1-one | CAS Registry Number: 17388-39-5
Synonyms: MEGxp0_000871, ACon1_000546, NCGC00168975-01, TL8001379, C09800

Molecular Formula: C16H22O10Molecular Weight: 374.339880 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 10

InChIKey: HEYZWPRKKUGDCR-QBXMEVCASA-N

• Syringic acid
IUPAC Name: 4-hydroxy-3,5-dimethoxybenzoic acid | CAS Registry Number: 530-57-4
Synonyms: SYRINGIC ACID, Cedar acid, SpecPlus_000485, Spectrum3_001866, Spectrum5_000963, 3,5-Dimethoxy-4-hydroxybenzoic acid, BSPBio_003312, Gallic acid 3,5-dimethyl ether, Benzoic acid, 4-hydroxy-3,5-dimethoxy-, DivK1c_006581, S6881_SIGMA, 4-Hydroxy-3,5-dimethoxybenzoic acid, NSC 2129, 3,5-Dimethoxy-4-hydroxybenzyl acid, EINECS 208-486-8, KBio1_001525, KBio3_002814, NSC2129, CID10742, BRN 2115262

Molecular Formula: C9H10O5Molecular Weight: 198.172700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: JMSVCTWVEWCHDZ-UHFFFAOYSA-N

• Syringic Aldehyde
IUPAC Name: 4-hydroxy-3,5-dimethoxybenzaldehyde | CAS Registry Number: 134-96-3
Synonyms: SYRINGALDEHYDE, Syringylaldehyde, Syringealdehyde, Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, 4-Hydroxy-3,5-dimethoxybenzaldehyde, Benzaldehyde, 4-hydroxy-3,5-dimethoxy-, 3,5-Dimethoxy-4-hydroxybenzaldehyde, S7602_ALDRICH, W404926_ALDRICH, 86220_FLUKA, EINECS 205-167-5, CID8655, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Benzaldehyde, 3,5-dimethoxy-4-hydroxy-, NSC 41153, AIDS340410, AIDS-340410, NSC41153, BRN 0784514

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KCDXJAYRVLXPFO-UHFFFAOYSA-N

• Syringin
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol | CAS Registry Number: 118-34-3
Synonyms: Syringoside, Lilacin, Syrigin, Methoxyconiferine, Syringenin, Ligustrin, Eleutheroside B, Syringinenin, MAGNOLENIN A, .beta.-Terpineol, Ligustrin (VAN), BETA-TERPINEOL, Syringin (8CI), MLS000574917, CHEBI:9380, MEGxp0_000264, ACon1_000108, AIDS086296, AIDS-086296, NSC287441

Molecular Formula: C17H24O9Molecular Weight: 372.367060 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: QJVXKWHHAMZTBY-GCPOEHJPSA-N

• TACCALONOLIDE A
Synonyms: Taccalonolide A, CID441685, C08635

Molecular Formula: C36H46O14Molecular Weight: 702.742040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 14

InChIKey: PTTJLTMUKRRHAT-VJAKQJMOSA-N

• TALATISAMINE
Synonyms: Talatisamine, Talatizamine, STOCK1N-53305, MolPort-002-526-590, CID441761, C08713

Molecular Formula: C24H39NO5Molecular Weight: 421.570160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BDCURAWBZJMFIK-FLDLCTCNSA-N

• Tangeretin
IUPAC Name: 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 481-53-8
Synonyms: Ponkanetin, Tangeritin, Pentamethoxyflavone, Tangeretin (6CI), Ambap3268, Spectrum2_001698, Spectrum3_000920, Spectrum4_001019, 5,6,7,8,4'-Pentamethoxyflavone, 4',5,6,7,8-Pentamethoxyflavone, KBioGR_001517, SPECTRUM1505269, SPBio_001656, CHEBI:9400, MEGxp0_001011, NSC53909, ACon1_001263, EINECS 207-570-1, KBio3_001900, NSC 53909

Molecular Formula: C20H20O7Molecular Weight: 372.368600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: ULSUXBXHSYSGDT-UHFFFAOYSA-N

• Tannic Acid
Synonyms: TANNIC ACID, Tannic acid (TN), Tannic acid (JP15/USP), NSC5031, NSC656273, D01959, D-Glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate], 72401-53-7

Molecular Formula: C76H52O46Molecular Weight: 1701.198480 [g/mol]
H-Bond Donor: 25H-Bond Acceptor: 46

InChIKey: LRBQNJMCXXYXIU-UHFFFAOYSA-N

• Tanshinone I
IUPAC Name: 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione | CAS Registry Number: 568-73-0
Synonyms: Tanshinone, Tanshinon I, Tanshinone A, Tanshinone IIb, Tanshinone IIA, tanshinone II A, tanshinone II B, MLS000697676, TTE-50, BB_NC-1754, C18H12O3, CID114917, SMR000445578, 1,6-Dimethylphenanthro(1,2-b)furan-10,11-dione, LS-175777, Phenanthro(1,2-b)furan-10,11-dione, 1,6-Dimethyl-, C021751, Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-, 54693-68-4

Molecular Formula: C18H12O3Molecular Weight: 276.286080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AIGAZQPHXLWMOJ-UHFFFAOYSA-N

• Tanshinone IIA
IUPAC Name: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione | CAS Registry Number: 568-72-9
Synonyms: Tanshinon II, Tanshinone B, Tanshinone II, Dan Shen Ketone, Tanshinone ?A, tanshinone II A, Ambap896, BSPBio_001597, BSPBio_002426, KBioGR_000317, KBioSS_000317, MLS001048863, SPECTRUM1505824, KBio2_000317, KBio2_002885, KBio2_005453, KBio3_000633, KBio3_000634, NSC686519, AIDS150197

Molecular Formula: C19H18O3Molecular Weight: 294.344420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HYXITZLLTYIPOF-UHFFFAOYSA-N

• TANSHINONEIIA
IUPAC Name: sodium 1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-2-sulfonate | CAS Registry Number: 69659-80-9
Synonyms: Danshen-201, tanshinone IIA sulfonate, Ambmdy01505036, Tanshinone II A sodium sulfonate, Sodium tanshinone II A sulfonate, SPECTRUM1505036, sodium tanshinone IIA sulfonate, DS-201, MolPort-003-666-573, HMS1923I19, CID125781, DS 201, NCGC00095262-01, C024894, Phenanthro(1,2-b)furan-2-sulfonic acid, 6,7,8,9,10,11-hexahydro-1,6,6-trimethyl-10,11-dioxo-, sodium salt

Molecular Formula: C19H17NaO6SMolecular Weight: 396.389450 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: AZEZEAABTDXEHR-UHFFFAOYSA-M

• TARAXASTEROL
IUPAC Name: (3S,4aR,6aR,6aR,6bR,8aR,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol | CAS Registry Number: 1059-14-9
Synonyms: Isolactucerol, Taraxasterol, taraxa-20(30)-en-3-beta-ol, CHEBI:602617, CID441686, C08636

Molecular Formula: C30H50OMolecular Weight: 426.717400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XWMMEBCFHUKHEX-CWFQSGEHSA-N

• Tauroursodeoxycholic acid
IUPAC Name: 2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid | CAS Registry Number: 14605-22-2
Synonyms: Ursodeoxycholyltaurine, TUDCA, TAUROCHENODEOXYCHOLIC ACID, Tauroursodeoxycholic acid (6CI,7CI), UR 906, CID3034759, LS-65652, C031655, tauroursodeoxycholic acid, (3alpha,5alpha,7alpha)-isomer, 2-(((3-alpha,5-beta,7-beta)-3,7-Dihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid, Ethanesulfonic acid, 2-(((3-alpha,5-beta,7-beta)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-, Taurine, N-(3-alpha,7-beta-dihydroxy-5-beta-cholan-24-oyl)-,, tauroursodeoxycholic acid, monosodium salt, (3alpha,7alpha)-isomer, Taurine, N-(3-alpha,7-beta-dihydroxy-5-beta-cholan-24-oyl)-, (8CI), tauroursodeoxycholic acid, monosodium salt, (3alpha,5beta,7alpha)-isomer

Molecular Formula: C26H45NO6SMolecular Weight: 499.703600 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: BHTRKEVKTKCXOH-AYSJQVDDSA-N

• Taxifolin; Dihydroquercetin
IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one | CAS Registry Number: 480-18-2
Synonyms: dihydroquercetin, Taxifoliol, Distylin, TAXIFOLIN, Catechin hydrate, (+)-Taxifolin, trans-Dihydroquercetin, (+)-Dihydroquercetin, Dihydroquercetin hydrate, TAXIFOLIN-(+), (2R,3R)-Dihydroquercetin, (+/-)-Taxifolin hydrate, MLS000759526, MLS000759539, MLS001066341, MLS001074712, MLS001424044, MLS002153142, T4512_SIGMA, MEGxp0_000741

Molecular Formula: C15H12O7Molecular Weight: 304.251580 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: CXQWRCVTCMQVQX-LSDHHAIUSA-N

• Tectoridin
IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 611-40-5
Synonyms: Shekanin, Tectoridin (7CI,8CI), BRN 0068384, ZINC04098747, CID5281810, LS-39677, 4',5-Dihydro-6-methoxy-7-(o-glucoside)isoflavone, C10533, 4-18-00-03312 (Beilstein Handbook Reference), 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-

Molecular Formula: C22H22O11Molecular Weight: 462.403480 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: CNOURESJATUGPN-UDEBZQQRSA-N

• Tectorigenin
IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one | CAS Registry Number: 548-77-6
Synonyms: Tectorigenine, psi-tectorigenin, Spectrum_000761, SpecPlus_000145, KBioSS_001241, DivK1c_006241, KBio1_001185, KBio2_001241, KBio2_003809, KBio2_006377, CHEBI:491908, K 251T, C16H12O6, 4',5,7-Trihydroxy-6-methoxyisoflavone, BRN 0305601, LMPK12050385, ZINC00899915, CID5281811, 4',5',7-trihydroxy-6-methoxyisoflavone, LS-84477

Molecular Formula: C16H12O6Molecular Weight: 300.262880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: OBBCRPUNCUPUOS-UHFFFAOYSA-N

• TELOCINOBUFAGIN
IUPAC Name: 5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one | CAS Registry Number: 472-26-4
Synonyms: Telocinobufagin, Telecinobufagin, Telocinobufogenin, CHEBI:565521, NSC90782, CID259991, NSC119989, C17072, 5.beta.-Bufa-20,22-dienolide, 3.beta.,5,14-trihydroxy-, Bufa-20,22-dienolide, 3,5,14-trihydroxy-, (3.beta.,5.beta.)-

Molecular Formula: C24H34O5Molecular Weight: 402.523760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: PBSOJKPTQWWJJD-ZBDZJSKLSA-N

• Tenacissoside H
Synonyms: MolPort-028-754-178, HY-N0670, AKOS030526686, CS-5519, BT001089, Y0199, (17R)-3beta-[4-O-(3-O-Methyl-6-deoxy-beta-D-allopyranosyl)-3-O-methyl-2,6-dideoxy-beta-D-glucopyranosyloxy]-8,14beta-epoxy-11alpha-(2-methylbutyryloxy)-12beta-acetoxy-5alpha-pregnane-20-one

Molecular Formula: C42H66O14Molecular Weight: 794.976 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 14

InChIKey: HRSFCYYMBMDMOU-ZIAOJATMSA-N

• Tetrahydropalmatine hydrochloride
IUPAC Name: 2,3,9,10-tetramethoxy-5,6,7,8,13,13a-hexahydroisoquinolino[2,1-b]isoquinolin-7-ium chloride | CAS Registry Number: 6024-85-7
Synonyms: Gindarin hydrochloride, Gindarine hydrochloride, 1-Tetrahydropalmitine HCl, Tetrahydropalmaline chloride, HCl of tetrahydropalmatine, C21H25NO4.HCl, D-Tetrahydropalmatine hydrochloride, l-Tetrahydropalmatine hydrochloride, dl-Tetrahydropalmatine hydrochloride, l-Tetrahydropalmitine, hydrochloride, NSC 36363, NSC 132057, NSC 132058, NSC 209411, HCl(R)-isomer of tetrahydropalmatine, HCl(S)-isomer of tetrahydropalmatine, HCl(+-)-isomer of tetrahydropalmatine, LS-43453, LS-43454, LS-43455

Molecular Formula: C21H26ClNO4Molecular Weight: 391.888440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MGSZZQQRTPWMEI-UHFFFAOYSA-N

• Tetrandrine
Synonyms: tetrandrine, D-Tetrandrine, Fanchinine, Tetrandrin, (+)-Tetrandrine, Sinomenine A, hanjisong, tetradrine, DL-Tetrandine, Sinomenine, Hanfangchin A, (S,S)-Tetrandrine, DL-Tetandrine, (+-)-Tetrandine, (+/-)-Tetrandine, nchembio.105-comp5, Spectrum_000315, TETRANDRINE, (DL), (.+-.)-Tetrandrine, SpecPlus_000661

Molecular Formula: C38H42N2O6Molecular Weight: 622.749880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: WVTKBKWTSCPRNU-KYJUHHDHSA-N

• THEAFLAVINE-3,3'-DIGALLATE
IUPAC Name: [(2R,3R)-2-[3,5-dihydroxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-8-[(3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate | CAS Registry Number: 33377-72-9
Synonyms: Theaflavin digallate, Teaflavin digallate, CID5748168, 1,8-Bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one digallate, Benzoic acid, 3,4,5-trimethoxy-, diester with 1,8-bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one

Molecular Formula: C43H32O20Molecular Weight: 868.702180 [g/mol]
H-Bond Donor: 13H-Bond Acceptor: 20

InChIKey: TUJOKWPTOVJHLY-JBJHRQGLSA-N

• THEAFLAVINE-3-GALLATE
IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | CAS Registry Number: 30462-34-1
Synonyms: Theaflavin gallate, Spectrum_000318, SpecPlus_000279, Theaflavin monogallate A, Spectrum2_000162, Spectrum3_000252, Spectrum4_001542, Spectrum5_000104, Ambmdy00210242, BSPBio_001664, KBioGR_002004, KBioSS_000798, DivK1c_006375, SPBio_000023, KBio1_001319, KBio2_000798, KBio2_003366, KBio2_005934, KBio3_001164, CID169167

Molecular Formula: C36H28O16Molecular Weight: 716.597920 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 16

InChIKey: KMJPKUVSXFVQGZ-WQLSNUALSA-N

• Theobromine
IUPAC Name: 3,7-dimethylpurine-2,6-dione | CAS Registry Number: 83-67-0
Synonyms: theobromine, Diurobromine, Theosalvose, Santheose, Teobromin, Theostene, Thesal, 3,7-Dimethylxanthine, Thesodate, Theobromin, Theobromine [BAN], Theobromine (natural), Xanthine, 3,7-dimethyl-, Prestwick_1054, Spectrum_000053, Prestwick0_000874, Prestwick1_000874, Prestwick2_000874, Prestwick3_000874, Spectrum2_000985

Molecular Formula: C7H8N4O2Molecular Weight: 180.164020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N

• Theophylline
IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione | CAS Registry Number: 58-55-9
Synonyms: theophylline, Elixophyllin, Theophyllin, Theolair, Theocin, Nuelin, Synophylate, Bronkodyl, Aerolate, Theovent, Respbid, Theobid, Uniphyl, 1,3-Dimethylxanthine, Pseudotheophylline, aminophylline, Slo-phyllin, Elixophylline, Liquophylline, Armophylline

Molecular Formula: C7H8N4O2Molecular Weight: 180.164020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N

• Thioctic Acid
IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanoic acid | CAS Registry Number: 62-46-4
Synonyms: lipoic acid, thioctic acid, lipoate, Heparlipon, Biletan, alpha-Lipoic acid, Thioctacid, Thioctidase, Tioctidasi, Lipothion, Thioctsan, Tioctacid, Liposan, alpha-liponic acid, Thioctanoic acid, (R)-lipoic acid, Protogen A, Thiooctanoic acid, R-Lipoate, R-Lipoic acid

Molecular Formula: C8H14O2S2Molecular Weight: 206.325560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AGBQKNBQESQNJD-SSDOTTSWSA-N

• Thymol
IUPAC Name: 5-methyl-2-propan-2-ylphenol | CAS Registry Number: 89-83-8
Synonyms: THYMOL, Thyme camphor, Thymic acid, Isopropyl cresol, m-Thymol, 3-p-Cymenol, Apiguard, 6-Isopropyl-m-cresol, p-Cymen-3-ol, Thymol (natural), 3-Hydroxy-p-cymene, Cymophenol, alpha-, 2-Isopropyl-5-methylphenol, 5-Methyl-2-isopropylphenol, p-Cymene, 3-hydroxy-, Thymol Swarm Brand, 6-Isopropyl-p-cresol, 6-Isopropyl-3-methylphenol, m-Cresol, 6-isopropyl-, Caswell No. 856A

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N

• Tigogenin
Synonyms: Sarsasapogenin, sarsasopogenin, Neotigogenin, Smilagenin, Parigenin, Spirostan-3-ol, 3-Episarsasapogenin, NSC1615, NSC93754, CID92095, CPD-1946, NSC231816, NSC232021, (25S)-5-beta-spirostan-3-beta-ol, (25R)-5.alpha.-Spirostan-3.beta.-ol, Spirostan-3-ol, (3.beta.,5.beta.,25S)-, Spirostan-3-ol, (3.beta.,5.alpha.,25R)-, 5.alpha.-Spirostan-3.beta.-ol, (25R)-, 5.beta.-Spirostan-3.beta.-ol, (25S)-, Spirostan-3-ol, (3.beta.,5.beta.,25R)-

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GMBQZIIUCVWOCD-UHFFFAOYSA-N

• Tiliroside
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate | CAS Registry Number: 20316-62-5
Synonyms: Tribuloside, Potengriffioside A, Ambap1829, MEGxp0_000169, AIDS003029, AIDS-003029, NCGC00163634-01, LS-123660, 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6'-ester with 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-(6-O-trans-p-coumaroyl)-.beta.-glucopyranoside, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-.beta.-D-glucopyranosyl]oxy]-

Molecular Formula: C30H26O13Molecular Weight: 594.519640 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 13

InChIKey: DVGGLGXQSFURLP-VWMSDXGPSA-N

• Timosaponin A-III
Synonyms: Timosaponin A3, N1915

Molecular Formula: C39H64O13Molecular Weight: 740.917660 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 13

InChIKey: MMTWXUQMLQGAPC-VRVDGGONSA-N

• Timosaponin B2
Synonyms: Timosaponin B II, Timosaponin b- II, N1929

Molecular Formula: C45H76O19Molecular Weight: 921.073540 [g/mol]
H-Bond Donor: 12H-Bond Acceptor: 19

InChIKey: SORUXVRKWOHYEO-WHLCQZNSSA-N

• Toddaline
IUPAC Name: 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one | CAS Registry Number: 483-90-9
Synonyms: Toddalolactone, MolPort-000-882-159, CID160485, ZINC05357388, AKJ-244-85, 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-

Molecular Formula: C16H20O6Molecular Weight: 308.326400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: GLWPLQBQHWYKRK-CYBMUJFWSA-N

• TOOSENDANIN, 90% BY HPLC
Synonyms: Chuanliansu, Toosendanin, BRN 1674886, CID115060, LS-185054, 24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, (1-alpha,3-alpha,4-beta(R), 5-alpha,7-alpha,12-alpha,13-alpha,14-beta,15-beta,17-alpha)-, 66052-48-0, 79304-40-8

Molecular Formula: C30H38O11Molecular Weight: 574.616120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: NAHTXVIXCMUDLF-SLWGVJJJSA-N

• Tracheloside
IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one | CAS Registry Number: 33464-71-0
Synonyms: 4-{[(3S,4S)-4-(3,4-dimethoxybenzyl)-3-hydroxy-2-oxotetrahydrofuran-3-yl]methyl}-2-methoxyphenyl beta-D-glucopyranoside

Molecular Formula: C27H34O12Molecular Weight: 550.551660 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: LWYAMIUSVGPFKS-UHFFFAOYSA-N

• Trans Ferulic Acid
IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | CAS Registry Number: 1135-24-6
Synonyms: ferulic acid, ferulate, (E)-Ferulic acid, Ferulic acid, trans-, 4-Hydroxy-3-methoxycinnamic acid, Spectrum5_000554, ferulic acid, (E)-isomer, BSPBio_003168, FERULIC ACID (TRANS), MLS001066385, MLS001332483, MLS001332484, SPECTRUM1501017, W518301_ALDRICH, 128708_ALDRICH, CCRIS 7575, Cinnamic acid, 4-hydroxy-3-methoxy-, 46278_FLUKA, CHEBI:17620, EINECS 208-679-7

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N

• Trillin (Polyphyllin A)
Synonyms: Disogluside, Disoglusido, Disoglusidum, Diosgenin glucoside, Disoglusidum [INN-Latin], Disoglusido [INN-Spanish], UNII-8KI671F2NS, CID65609

Molecular Formula: C33H52O8Molecular Weight: 576.761180 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: WXMARHKAXWRNDM-VVWJQRNDSA-N

• Triptolide
Synonyms: triptolide, Triptolid, Triptolide (9CI), BSPBio_001595, KBioGR_000315, KBioSS_000315, MLS000759410, MLS001424107, PG490, KBio2_000315, KBio2_002883, KBio2_005451, KBio3_000629, KBio3_000630, Bio2_000315, Bio2_000795, NSC 163062, C20H24O6, CID107985, NSC163062

Molecular Formula: C20H24O6Molecular Weight: 360.400960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DFBIRQPKNDILPW-CIVMWXNOSA-N

• Triptophenolide
IUPAC Name: (3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one | CAS Registry Number: 74285-86-2
Synonyms: Tryptophenolide, Ambap2366, Spectrum_001722, SpecPlus_000566, Spectrum2_001618, Spectrum3_001928, Spectrum4_001660, Spectrum5_000539, BSPBio_003528, KBioGR_002159, KBioSS_002202, DivK1c_006662, SPECTRUM1504005, SPBio_001655, KBio1_001606, KBio2_002202, KBio2_004770, KBio2_007338, KBio3_002756, CID173273

Molecular Formula: C20H24O3Molecular Weight: 312.402760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KPXIBWGPZSPABK-FXAWDEMLSA-N

• Turmeric Yellow
IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione | CAS Registry Number: 458-37-7
Synonyms: curcumin, Diferuloylmethane, Turmeric yellow, Kacha haldi, Natural yellow 3, Curcumin I, Gelbwurz, Hydrastis, Turmeric, Curcuma, Souchet, Haldar, Haidr, Halad, Halud, Indian turmeric, Indian saffron, Yellow puccoon, Merita earth, Golden seal

Molecular Formula: C21H20O6Molecular Weight: 368.379900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N

• Typhaneoside
IUPAC Name: 3-[(3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one | CAS Registry Number: 104472-68-6
Synonyms: CID5489389, 4H-1-Benzopyran-4-one, 3- ((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-6))-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

Molecular Formula: C34H42O20Molecular Weight: 770.685280 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 20

InChIKey: POMAQDQEVHXLGT-QQVXUORWSA-N

• Ursolic acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 77-52-1
Synonyms: Prunol, Malol, Urson, Merotaine, 3-epi-ursolic acid, .beta.-Ursolic acid, Prestwick3_000089, CCRIS 7123, BSPBio_000018, MLS000728569, MLS002154196, U6753_SIGMA, NSC4060, BPBio1_000020, CHEBI:9908, 3beta-Hydroxyurs-12-en-28-oic acid, NSC 4060, 89797_FLUKA, EINECS 201-034-0, TOS-BB-0966

Molecular Formula: C30H48O3Molecular Weight: 456.700320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

• Usnic acid
IUPAC Name: 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione | CAS Registry Number: 125-46-2
Synonyms: usnic acid, Usniacin, Usnein, Usno, Usninic acid, Usninsaeure, d-Usnic acid, L-Usnic acid, Usinic acid, Usninsaeure [German], (+-)-Uanic acid, (+)-Usnic acid, Ambap2178, Spectrum_000177, (+/-)-Usnic acid, 7-Hydroxy-(S)-usnate, Spectrum2_000744, Spectrum3_001195, Spectrum4_001811, Spectrum5_000541

Molecular Formula: C18H16O7Molecular Weight: 344.315440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: CUCUKLJLRRAKFN-UHFFFAOYSA-N

• VACCARIN
IUPAC Name: 6-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one | CAS Registry Number: 53452-16-7
Synonyms: Vaccarin, LMPK12110321, Isovitexin 4'-O-glucoside 2''-O-arabinoside

Molecular Formula: C32H38O19Molecular Weight: 726.632720 [g/mol]
H-Bond Donor: 12H-Bond Acceptor: 19

InChIKey: GYIKGLVKALOGDP-MMUPBISGSA-N

• Valtrate
IUPAC Name: [(1S,6S,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate | CAS Registry Number: 18296-44-1
Synonyms: Valepotriate, Baldrisedon, Valtratum, Halazuchrome B, Valtrato, Valtrats, Valtrats [German], Valtrate [INN], Valtratum [INN-Latin], Valtrato [INN-Spanish], CCRIS 5795, EINECS 242-174-2, CHEBI:253759, CID3033955, LS-46346, (7S)-4-Acetoxymethyl-1,6,7,7a-tetrahydro-1alpha,6alpha-bis(isovaleroyl)cyclopent(c)pyran-7-spiro-2-oxiran, 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7-(6H),2'-oxirane)-4-methanol 4-acetate 1,6-diisovalerate, 3a,4-Dihydro-3,4-dihydroxyspiro(benzofuran-2(3H),2'-oxirane)-6-methanol 6-acetate 3,4-diisovalerate, 4-Acetoxymethyl-1,6,7,7a-tetrahydro-1,6-bis(isovaleryloxy)cyclopenta(c)pyran-7-spiro-2'-oxiran, Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))-

Molecular Formula: C22H30O8Molecular Weight: 422.468800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: BDIAUFOIMFAIPU-LFNVVQRMSA-N

• Vanillic Acid
IUPAC Name: 4-hydroxy-3-methoxybenzoic acid | CAS Registry Number: 121-34-6
Synonyms: Vanillic acid, Acide vanillique, Vanillate, p-Vanillic acid, Acid, Vanillic, 4-HYDROXY-3-METHOXYBENZOIC ACID, m-Anisic acid, 4-hydroxy-, Benzoic acid, 4-hydroxy-3-methoxy-, VA (VAN), 4-Hydroxy-3-methoxybenzoate, 3-Methoxy-4-hydroxybenzoic acid, WLN: QVR DQ CO1, H36001_ALDRICH, MLS000574833, Protocatechuic acid, 3-methyl ester, W398802_ALDRICH, NSC 3987, 4 Hydroxy 3 methoxybenzoic Acid, 94770_FLUKA, CHEBI:30816

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WKOLLVMJNQIZCI-UHFFFAOYSA-N

• Vinblastine
Synonyms: vinblastine, Vincaleukoblastine, Indole alkaloid, STOCK1N-71217, CHEBI:27375, AIDS002673, AIDS-002673, NSC49842, CID241903, 143-67-9 (SULFATE), NCGC00181127-01, NCI60_004200, LS-187263, C07201, (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, VLB

Molecular Formula: C46H58N4O9Molecular Weight: 810.974120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: JXLYSJRDGCGARV-XQKSVPLYSA-N

• Vincristine
Synonyms: vincristine, Leurocristine, Vincrystine, Vinkristin, Indole alkaloid, 22-Oxovincaleukoblastine, Vincrstine, Oncovine, Vincrisul, Vincristina [DCIT], Onco TCS, Vincristine sulfate, Liposomal Vincristine, Vincristinum [INN-Latin], Vincristine [INN:BAN], Z-D-Val-Lys(Z)-OH, Vincaleukoblastine, 22-oxo-, CCRIS 5763, HSDB 3199, Oncovin (1:1 sulfate salt)

Molecular Formula: C46H56N4O10Molecular Weight: 824.957640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: OGWKCGZFUXNPDA-XQKSVPLYSA-N

• Vindoline
Synonyms: Vindolin, Vindoline (8CI), EINECS 218-558-0, NSC 91994, AIDS014787, NSC 628056, AIDS-014787, CID16596, NSC91994, NSC628056, LS-22154, (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methylaspidospermidine-3-carboxylic acid, Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)-, ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 4-(ACETYLOXY)-6,7-DIDEHYDRO-3-HYDROXY-16-MET, Methyl 4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate

Molecular Formula: C25H32N2O6Molecular Weight: 456.531380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: CXBGOBGJHGGWIE-KKFURDAFSA-N


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