Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE003755 |
ID: | TCMBANKHE003755 |
植物拉丁名: |
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功能与主治: | To remove toxic heat, to cure carbuncles, and to reduce nodules./Swelling toxin of sore and welling abscess, burns and scalds, scrofula, damp sore, warm malaria, frightepilepsy, blood dysentery, intestinal wind, hemorrhoids and fistulas, leukorrhea, knocks and falls, bleeding due to external injury. |
药用植物名: | 白蔹 |
药用部位: | tuberoid |
药味: | Minor cold; Pungent; Bitter |
经络: | Stomach; Heart |
治疗类型: | 清热解毒药 |
TCM_ID_id: | 8099 |
SymMap_id: | 15 |
TCMSP_id: | 31 |
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000047 | Chelerythrine | 34316-15-9 (Parent); CHEMBL1971693; 6471-86-9; Toddaline hydroxide; chelerythrine; [1,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide; SCHEMBL288916; UNII-65ML87R6OI; Chelerythrine aurichloride; AC1NS0S9; NSC76023; 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide; Toddalin hydroxide; Chelerythrinium hydroxide; NSC-76023; Chelerythrine, compd. with gold chloride (AuCl3); (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide (9CI); Chelerythrine hydroxide; Helleritrine hydroxide; NSC 76023; 65ML87R6OI; 478-03-5 | C21H19NO5 | 365.4 g/mol | C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[OH-] |
| TCMBANKIN000635 | sparteine | EBD2202131; DSSTox_CID_3591; 298897D62S; AK122435; NCGC00142614-01; 90-39-1; RL05684; (7S,7aS,14S,14aR)-dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine; L-SPARTEINE; Ambotz90-39-1; Sparteina; 7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, (7S,7aR,14S,14aS)-; C10783; InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15-/m0/s; (7S,7aR,14S,14aS)-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine; Esparteina; CAS-90-39-1; ST24033390; TL8005816; Spartein; ZINC1408502; AJ-67273; CS-W012901; Alkyl Polyglucoside; KS-00000OBL; Sparteinum; UNII-298897D62S; 6-beta,7-alpha,9-alpha,11-alpha-Pachycarpine; MLS002207055; KB-209108; CHEMBL1908847; 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7aalpha,14alpha,14abeta))-; AC1LVZQY; Sparteinum [INN-Latin]; Alkylamphopropionate; 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, [7S-(7alpha,7aalpha,14alpha,14abeta)]-; AKOS016012217; FT-0080874; 6beta,7alpha,9alpha,11alpha-Pachycarpine; Sparteine (-); (6''R'',8''S'',10''R'',12''S'')-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane; MLS000028889; NCGC00181124-02; (-)-Sparteine, >=98.0% (GC); Sparteina [DCIT]; Esparteina [INN-Spanish]; 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-; Sparteine [INN]; CHEBI:28827; (+)-Spartein; DSSTox_RID_77098; DSSTox_GSID_23591; (-)sparteine; Prestwick3_000618; lupinidine; 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine,dodecahydro-, (7S,7aR,14S,14aS)-; SCHEMBL79043; (-)-Sparteine; [7S-(7alpha,7aalpha,14alpha,14abeta)]-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine; BPBio1_000612; Prestwick_426; (-)-Lupinidine; HMS2096L18; (-) sparteine; Sparteine; (7S,7aR,14S,14aS)-Tetradecahydro-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine; Lupinidin; NCGC00016346-01; SMR000059203; Tox21_110386_1; EINECS 201-988-8; Genisteine Alkaloid; Sparteine (6CI,8CI); BSPBio_000556; SLRCCWJSBJZJBV-ZQDZILKHSA-N; Tox21_110386; AC1LD8G5 | C15H26N2 | 234.38 g/mol | C1CCN2CC3CC(C2C1)CN4C3CCCC4 |
| TCMBANKIN002418 | butenolide b | butenolide B | C14H18O3 | 234.29 | CCC(C)CCC(C1C(COC1=O)CO)O |
| TCMBANKIN003193 | ent-Epicatechin | AIDS026330; AIDS-026330; (2S,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; (+)-Epicatechin; 35323-91-2; C09728; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S-cis)-; ZINC00119978 | C15H14O6 | 290.27 | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| TCMBANKIN003203 | butenolide a | ||||
| TCMBANKIN003239 | hinesol | hinesol | C15H26O | 222.37 | CC1CCC=C(C12CCC(C2)C(C)(C)O)C |
| TCMBANKIN004515 | cis-resveratrol | 5-[(Z)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; (Z)-resveratrol; 5-[(Z)-2-(4-hydroxyphenyl)vinyl]resorcinol; CHEBI:36002; Tocris-1418; NCGC00024003-02; NCGC00015894-01; 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; CAS-501-36-0; NCGC00015894-02; NCGC00017352-01; Lopac-R-5010; TNP00294 | C14H12O3 | 228.24 | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
| TCMBANKIN005166 | 6-o-digalloyl-1, 2, 3-tri-o-galloyl-beta-d-glucopyranoside | 6-o-digalloyl-1,2,3-tri-o-galloyl-beta-d-glucopyranoside | |||
| TCMBANKIN006943 | histamine | beta-Aminoethylglyoxaline; 3bu1; IDI1_002144; Bio1_000976; AIDS020252; Histamium; 2-(3H-imidazol-4-yl)ethanamine; Bio1_000487; 5-Imidazoleethylamine; 4-Imidazoleethylamine; NCGC00093371-03; Spectrum3_000452; BCBcMAP01_000250; KBio3_000854; L-histamine; 1H-Imidazole-4-ethanamine; Spectrum4_000960; BSPBio_001117; KBio2_003893; C00388; 2-(1H-imidazol-4-yl)ethanamine; KBio2_000457; KBioSS_000457; Histamine, Free Base; CCRIS 6535; SMR000059091; NSC33792; KBio2_003025; CHEBI:58432; 2-(4-Imidazolyl)ethylamine; BSPBio_002124; Istamina [Italian]; Ergamine; 2-(1H-imidazol-5-yl)ethylazanium; ZERO/004089; HSM; 4-(2-Aminoethyl)-1H-imidazole; Eramin; Spectrum_000845; CJ-15872; Histamine Base; histaminium; .beta.-Imidazolyl-4-ethylamine; histaminium cation; Bio1_001465; beta-Imidazolyl-4-ethylamine; NSC 33792; KBioGR_001580; 3rxh; SMP1_000151; WLN: T5M CNJ D2Z; Histamine [USAN]; Imidazole-4-ethylamine; beta-Aminoethylimidazole; Spectrum2_000665; KBioSS_001325; Ergotidine; KBio3_000853; 2-Imidazol-4-ylethylamine; SDCCGMLS-0066601.P001; 5-(2-Aminioethyl)-1H-imidazole; 2-(3H-imidazol-4-yl)ethylamine; peremin; A828600; 51-45-6; AIDS-020252; HSDB 3338; NCGC00015513-01; HISTAMINE; EINECS 200-100-6; KBio2_005593; Lopac0_000595; nchembio714-comp1; KBio1_000308; MLS000069447; CHEBI:18295; Lopac-H-7250; Ethylamine, 2-imidazol-4-yl-; KBio3_001344; Free histamine; IDI1_000308; H7125_SIGMA; 2-(1H-imidazol-4-yl)ethanaminium; KBioGR_000457; KBio2_006461; ST073926; 53290_FLUKA; FT-0669215; 2-(1H-imidazol-5-yl)ethylammonium; beta-aminothethylglyoxaline; Bio2_000389; Spectrum5_000796; SPBio_000729; Theramine; DivK1c_000308; KBio2_001325; NINDS_000308; NCGC00093371-04; Bio2_000869; Imidazole, 4-(2-aminoethyl)-; 2-(1H-imidazol-5-yl)ethanamine | C5H9N3 | 111.15 | C1=C(NC=N1)CCN |
| TCMBANKIN008254 | Oxysanguinarine | Hydroxysanguinarine; 548-30-1; CHEBI:31679; AC1L9F22; C12222; oxysanguinarine; DTXSID80203274; (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridin-14(13H)-one, 13-methyl-; dicyanide | C20H13NO5 | 347.32 | CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=C(C1=O)C6=C(C=C5)OCO6 |
| TCMBANKIN009025 | cheliensisamine | AC1NSTHZ; 2-acetyl-2-amino-4-hydroxyindeno[1,2-b]oxet-3-one | C12H9NO4 | CC(=O)C1(C2=C(O1)C3=C(C2=O)C(=CC=C3)O)N | |
| TCMBANKIN009386 | boryonolic acid | ||||
| TCMBANKIN009392 | 2,3,4,6-tetra-o-galloyl-d-glucopyranoside | C35H30O22 | 802.6 | ||
| TCMBANKIN009393 | l-homocysteine | C4H9NO2S | 135.19 g/mol | C(CS)C(C(=O)O)N | |
| TCMBANKIN010703 | quercetin-3-o- (2-o-galloyl) -alpha-l-rhamnoside | quercetin-3-o-(2-o-galloyl)-alpha-l-rhamnoside | |||
| TCMBANKIN013182 | wrightiadione | C16H8O3 | 248.23 g/mol | C1=CC=C2C(=C1)C3=C(C2=O)OC4=CC=CC=C4C3=O | |
| TCMBANKIN014050 | 1, 4, 6-tri-o-galloyl-beta-d-glucopyranoside | C27H24O18 | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | ||
| TCMBANKIN014161 | Protoporphyrin | 553-12-8 (FREE ACID); NSC2632 (FREE ACID); protoporphyrin; Ferrocytochrome; PROTOPORPHYRIN (PP); Ferrocytochrome b-561 | C34H34N4O4 | 562.66 | CC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)C)C=C)C.[Fe+2] |
| TCMBANKIN014350 | Tar | 95330_FLUKA; NCIStruc2_000222; CHEBI:15672; NSC-155080; 95320_FLUKA; C02107; T206_ALDRICH; (S,S)-Tartrate; NCIStruc1_000172; T400_ALDRICH; D-threaric acid; (2S,3S)-2,3-dihydroxybutanedioic acid; (2S,3S)-Tartaric acid; DL-2,3-Dihydroxybutanedioic acid; 483796_ALDRICH; D-Tartaric acid; D-Tartrate; D(-)-TARTARIC ACID; D-(−)-Tartaric acid; (S,S)-Tartaric acid; 03918_FLUKA; (-)-Weinsaeure; 147-71-7; Linksweinsaeure; (-)-Tartaric acid; NCI155080; (2S,3S)-(−)-Tartaric acid; NCGC00014424 | C4H6O6 | 150.09 | C(C(C(=O)O)O)(C(=O)O)O |
| TCMBANKIN014731 | Corchoroside A | Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-xylohexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta); 508-76-9; Corchorosid A; Corchorosid A [German]; corchoroside a; Corchorozide A; Korchoroside A | C29H42O9 | 534.6 g/mol | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O |
| TCMBANKIN015521 | l-histidine | Histidine monohydrochloride; histidin hydrochloride; Histidine, hydrochloride (1:1); TC-066771; 123333-71-1; NSC27422; D-Histidine, monohydrochloride; NSC46706; dl-histidine hydrochloride monohydrate; DL-HISTIDINE HYDROCHLORIDYL; L-Histidine dihydrochloride; NSC-27422; AK114057; DL-Histidine hydrochloride; 6459-59-2; L-Histidine, hydrochloride (1:1); NSC257867; L-Histidine, monohydrochloride; EN300-74227; KB-227425; MFCD00064555; NSC-206275; D-Histidine, hydrochloride; SC-15765; Histidine hydrochloride; Histidine, DL-; CTK8C6860; Histidine HCl; NSC-257867; DL-Histidine, hydrochloride; MCULE-2221977105; NSC206275; 2-Amino-3-(1H-imidazol-4-yl)propanoic acid hydrochloride; DL-Histidine monoHCl; AKOS015847815; DL-HISTIDINE MONOHYDROCHLORIDE; DL-Histidine? inverted exclamation mark currencyHCl; D-Histidine, hydrochloride (1:1); (R,S)-histidine monohydrochloride; NE11134; VC30754; SBB003627; FT-0636156; L-HISTIDINE DI HCL; NSC-46706; 2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrochloride; L-Histidine monohydrochloride; SCHEMBL139654; V0436; DL-Histidine, monohydrochloride; HISTIDINE,(L); (--)-Histidinmonohydrochlorid; MolPort-003-983-035; D-Histidine hydrochloride; Histidine dihydrochloride; rac-histidine monohydrochloride; AKOS016367771; AN-32791; BG00602759 | C6H10ClN3O2 | 191.61 g/mol | C1=C(NC=N1)CC(C(=O)O)N.Cl |
| TCMBANKIN015648 | 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone; 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione; ZINC03870262; 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione | C9H12N2O6 | 244.2 | |
| TCMBANKIN016210 | Flavoxanthin | flavoxanthin; (2R,6S,7aR)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-1,5,10,14-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaenyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol; C08594; (2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol; 512-29-8; LMPR01070271; (2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-6,11,15-trimethyl-heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol; (2R,6S,7aR)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-1,5,10,14-tetramethyl-hexadeca-1,3,5,7,9,11,13,15-octaenyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol | C40H56O3 | 584.87 | CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C)(C)C)O |
| TCMBANKIN017760 | 1,2,3,4,6-penta-o-galloyl-β-d-glucose | PGG; 1,2,3,4,6-penta-o-galloyl-beta-d-glucose | C20H26N10O15P2 | 708.4 g/mol | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OC4C(OC(C4O)N5C=NC6=C5N=C(NC6=O)N)COP(=O)(O)O)O)O)N=C(NC2=O)N |
| TCMBANKIN019205 | Cryptogenin | Cryptogenine; 3-beta,26-Dihydroxycholest-5-ene-12,22-dione; cryptogenin; Cholest-5-ene-16,22-dione, 3beta,26-dihydroxy-, (20S,25R)- (8CI); Cryptogenine [French]; 3-beta,26-Dihydroxycholest-5-ene-12,22-dione [French]; BXC9X8B37J; 3beta,26-Dihydroxycholest-5-ene-16,22-dione; UNII-BXC9X8B37J; NSC 93751; Cholest-5-ene-16,22-dione, 3-beta,26-dihydroxy-, (20S,25R)- (8CI); Cholest-5-ene-16,22-dione, 3,26-dihydroxy-, (3-beta,25R)-; (3-beta,25R)-3,26-Dihydroxycholest-5-ene-16,22-dione | C27H42O4 | 430.62 | [H+].CC(CCC(=O)C(C)C1C(=O)CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)CO |
| TCMBANKIN020098 | chelirubine | C21H16NO5+ | 362.4 g/mol | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 | |
| TCMBANKIN020119 | Dihydrosanguinarine | AIDS-106789; Dihydro Sanguinarine; ZINC895645; HY-N0902; 3586AH; ZB015056; Hydrosanguinarine; AIDS106789; dihydroavicine; CC-26826; UNII-3H1ZKG80F7; C20H15NO4; MolPort-039-139-629; AKOS030526138; AK546683; CHEMBL465678; FT-0667147; C05191; 3606-45-9; 13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine; AC1Q6ZQL; 3arv; 24-METHYL-5,7,18,20-TETRAOXA-24-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(2).0(1)?,(2)(1)]TETRACOSA-1,3,8,10,12,14(22),15,17(21)-OCTAENE; CS-3819; dihydrosanguinarine; 13, 14-dihydro-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine; 13,14-Dihydrosanguinarine; SCHEMBL420383; C-23832; Ambap3606-45-9; 13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine; DTXSID00189627; 3lle; 3as0; 3H1ZKG80F7; CHEBI:17209; (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridine, 13,14-dihydro-13-methyl-; AC1L3XTP | C20H15NO4 | 333.34 | CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6 |
| TCMBANKIN025159 | 2, 4, 6-tri-o-galloyl-beta-d-glucopyranoside | 2,4,6-tri-o-galloyl-beta-d-glucopyranoside | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | ||
| TCMBANKIN025505 | tartaric acid | tartaricacid; LS-188035 | C4H6O6 | 150.09 g/mol | C(C(C(=O)O)O)(C(=O)O)O |
| TCMBANKIN026437 | chelilutine | AC1NSTI5; 1,2,5-trimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium | C22H20NO5+ | 378.4 g/mol | C[N+]1=C2C(=C3C(=CC(=C(C3=C1)OC)OC)OC)C=CC4=CC5=C(C=C42)OCO5 |
| TCMBANKIN026811 | chelidonine | CHEMBL1966935; Stylophorin; Prestwick0_000587; CHEBI:31389; AIDS002651; Prestwick2_000587; NSC646661 (FREE BASE); MEGxp0_001421; Chelidonine; AIDS-002651; BPBio1_000478; Prestwick1_000587; Prestwick3_000587; BSPBio_000434; 5b,6,7,12b,13,14-Hexahydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenan-thridin-6-ol;[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-; Chelidonin; NSC406034; SPBio_002653; 476-32-4; C12242; NSC-406034; ACon1_000007 | C20H19NO5 | 353.37 | CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6 |
| TCMBANKIN029024 | atractyenolide | ||||
| TCMBANKIN029964 | methoxychelidonine | C20H15NO6 | 365.3 g/mol | COC1=C2C(=CC3=CC(=C4C5=C(CNC4=C31)C6=C(C=C5)OCO6)O)OCO2 | |
| TCMBANKIN031498 | chelerythrine methanolate | C22H21NO5 | 381.46 | CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C(=C3)OC)OCO5 | |
| TCMBANKIN032162 | ergotamine | C33H35N5O5 | 581.7 g/mol | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | |
| TCMBANKIN034618 | [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyl)oxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate | [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(3,4,5-trihydroxyphenyl)carbonyloxy-2-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-3-tetrahydropyranyl] ester; [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyl)oxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyl)oxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-3-yl] ester | C27H24O18 | 636.47 | |
| TCMBANKIN036815 | berberine | berberine ; isoquinoline alkaloid | C20H18NO4 | 337 | C12=N(C([H])([H])C([H])([H])c(c([H])c(OC([H])([H])O3)c3c4[H])c14)C([H])=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C5[H])C5=C2[H] |
| TCMBANKIN036840 | protocatechuic acid | 3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 | C18H14O8 | 358.299 | c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
| TCMBANKIN036851 | chenodeoxycholic acid | (3alpha,5beta,7alpha,8xi)-3,7-dihydroxycholan-24-oic acid; 3-alpha,7-alpha-Dihydroxycholanic acid; Anthropodesoxycholic acid; SMP1_000064; 7-alpha-Hydroxylithocholic acid; BSPBio_000190; Spectrum5_002009; JN3; CDCA; Acide chenodeoxycholique [INN-French]; Acidum chenodeoxycholicum [INN-Latin]; (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,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]pentanoic acid; 3-alpha,7-alpha-Dihydroxycholansaeure [German]; Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)- (9CI); (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,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]valeric acid; Chenodesoxycholsaeure [German]; 5.BETA.-CHOLANIC ACID-3.ALPHA., SODIUM SALT; AIDS-045143; CCRIS 2195; Gallodesoxycholic acid; AIDS045143; Chenodiol (USAN); Chenix (TN); Chenix; 7alpha-hydroxylithocholic acid; SODIUM URSO; Prestwick1_000285; Chenic acid; 5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-; HSCI1_000210; D00163; chenodeoxycholicacid; Cholan-24-oic acid, 3,7-dihydroxy-, (3-.alpha., 5-.beta., 7-.alpha.)-; Chenodiol [USAN]; Anthropododesoxycholic acid; SPBio_002409; Prestwick0_000285; Anthropodeoxycholic acid; Cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-; Chenodeoxycholic acid (JP15/INN); Chenodiol; NSC681066; CHEBI:16755; 474-25-9; Chenodeoxycholic acid; NSC-681066; 3-alpha,7-alpha-Dihydroxy-5-beta-cholan-24-oic acid; SBB002935; BPBio1_000210; 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid; Prestwick2_000285; Acido chenodeoxicholico [INN-Spanish]; LMST04010032; Chendol; C02528; EINECS 207-481-8; Prestwick3_000285; NSC 657949 | C24H40O4 | 392.57 | CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
| TCMBANKIN036882 | coptisine | Y0053; BDBM50030257; C19H14NO4; UNII-0GCL71VN14; AK198733; HSDB 8323; CHEMBL362071; Coptisine sulfate; 6020-18-4 (chloride); DTXSID10188404; XYHOBCMEDLZUMP-UHFFFAOYSA-N; AC1Q701I; Coptisine; alkaloid; C16938; HY-N0430; N1737; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium,6,7-dihydro-; 1198398-71-8; 0GCL71VN14; MEGxp0_001731; N2494; Q-100421; LS-44700; AC1L2HUS; KPT; CHEBI:67862; bis[methylenedioxy]protoberberine; I14-18844; NCI60_000465; 6,7-Dihydro[1,3]dioxolo[4,5-G][1,3]dioxolo[7,8]isoquino[3,2-A]isoquinolin-5-Ium; FT-0689356; FT-0645075; ZINC1709414; 3486-66-6; 7,8,13,13a-Tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium; AKOS015903291; Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-; Coptisin; SCHEMBL156866; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-; 348C666; MolPort-020-005-796 | C19H14NO4 | 321 | c12c(OC([H])([H])O1)c([H])c3c(C([H])([H])C([H])([H])N(C([H])=C(C([H])=C(OC([H])([H])O4)C4=C5[H])C5=C6[H])=C36)c2[H] |
| TCMBANKIN037277 | Oleanolic acid | Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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; oleanolic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN037308 | β-Eudesmol | 2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-; SCHEMBL12633040; beta-eudesmol; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]propan-2-ol; 17790_FLUKA; 2-Naphthalenemethanol, decahydro-8-methylene-alpha,alpha,4a-trimethyl-, (2R-(2-alpha,4a-alpha,8a-beta)-; 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; 3beta-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyldecahydronaphthalene; Beta- Eudesmol; (2R,4aR,8aS)-Decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol; β- eudesmol; Eudesm-4(14)-en-11-ol (8CI); beta-Selinenol; rel-2-[(2R,4aR,8aS)-4a-methyl-8-methylenedecahydronaphthalen-2-yl]propan-2-ol; 2-naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, (2R,4aR,8aS)-; C09664; InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s; beta-eudesmol ; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-2-decalinyl]propan-2-ol; AC1NSVC6; 2-[(2R,4aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; beta-Eudesmol; beta- eudesmol; 473-15-4; 4(15)-eudesmen-11-ol | 222.37 | ||
| TCMBANKIN039886 | schizandriside | C25H32O10 | 493 | c1(O[H])c(OC([H])([H])[H])c([H])c(C([H])([H])[C@@]([H])(C([H])([H])O[H])[C@]([H])(C([H])([H])O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O2)[C@@]3([H])c4c([H])c(OC([H])([H])[H ])c(O[H])c([H])c4[H])c3c1[H] | |
| TCMBANKIN041285 | Bryonolic acid | bryonolicacid; bryonolate; D:C-friedoolean-8-en-3beta-ol-29-oic acid; (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-Hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-eicosahydro-picene-2-carboxylic acid; AIDS-075058; 24480-44-2; bryonolic acid; AIDS075058; (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])(C([H])([H])[C@@](C(O[H])=O)(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3 ([H])[H])[C@]34C([H])([H])[H])=C4C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1(O[H])[H] |
| TCMBANKIN041446 | 10-hydroxychelidonine | C20H19NO6 | |||
| TCMBANKIN046547 | worenine | 38763-29-0; Worenin; Woreninechloride; UNII-STF4A6F4EH; C17083; 24-METHYL-5,7,18,20-TETRAOXA-13??-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(3).0(1)?,(2)(1)]TETRACOSA-1(24),2,4(8),9,13,15,17(21),22-OCTAEN-13-YLIUM; CHEBI:80913; SCHEMBL2584351; AK608329; Worenine cation; FT-0701381; MolPort-039-339-206; AKOS030573603; ZINC12153738; Bis(1,3)benzodioxolo(5,6-a:5',6'-g)quinolizinium, 5,6-dihydro-14-methyl-; STF4A6F4EH; Worenine ion; 5,6-Dihydro-14-methylbis(1,3)benzodioxolo(5,6-a:5,6-g)quinolizinium; Worenine [MI]; Worenine | C20H16NO4+ | 334.3 g/mol | CC1=C2C3=CC4=C(C=C3CC[N+]2=CC5=CC6=C(C=C15)OCO6)OCO4 |
| TCMBANKIN048739 | 8-Oxocoptisine | 335.3 g/mol | |||
| TCMBANKIN049422 | oxysophocarpine | OXYSOPHOCARPINE | C15H22N2O2 | 262.35 g/mol | C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-] |
| TCMBANKIN049875 | 7alpha-Hydroxycholesterol | 7-alpha-Hydroxycholesterol; 7-a-Hydroxycholesterol; CHEBI:89281; 7α-hydroxycholesterol; 7 alpha-hydroxycholesterol; 7a-Hydroxycholesterol | C28H48O2 | 402.7 g/mol | C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])[C@@]([H])(O[H])[C@]3([H])[C@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([ H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C4([H])[H])[C@]34[H])C([H])([H])[C@@]1([H])O[H] |
| TCMBANKIN057915 | FUM | U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid | C4H4O4 | 116.07 | C(=CC(=O)O)C(=O)O |
| TCMBANKIN057937 | galactitol | meso-galactitol;18089-21-9; EINECS 210-165-2; CHEBI:16813; D0256_SIGMA; NSC 1944; ZINC04521466; (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol; 40742-76-5; ZINC02034453; AI3-19423;C01507; C-25615; Sorbo; I0725; I14-60913; KB-53227; CTK8B4049; L-Iditol, >=98%; FBPFZTCFMRRESA-UNTFVMJOSA-N; AC1NUSPZ; DB-051581; 488-45-9; ANW-43765; CHEBI:18202; MolPort-003-848-134; L-Iditol; CC-29952; AKOS024258141; FT-0627851; K-9194; KS-00000XZK; WURCS=1.0/1,0/[h2121h]; SCHEMBL435775; ZINC5178945; W-202860; (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; L-Idit; MFCD00064289;dulcitol | C6H14O6 | 182.17 g/mol | C(C(C(C(C(CO)O)O)O)O)O |
| TCMBANKIN058003 | sanguinarine | Sanguinarine, 8CI); NSC-59270; sanguinarine ; NSC-35607; [1,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-, nitrate,sanguiritrin | C20H14NO4+ | 332.3 g/mol | C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 |
| TCMBANKIN058059 | digallic acid | AC1NUSQ2; digallate; Digalloyl ester; CHEBI:17866; 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoate; 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoate | C14H9O9- | 321.21 g/mol | C1=C(C=C(C(=C1O)[O-])O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O |
| TCMBANKIN058060 | gallic acid | Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid | C7H6O5 | 170.12 | C1=C(C=C(C(=C1O)O)O)C(=O)O |
| TCMBANKIN058064 | 2, 3, 4, 6-tetra-o-galloyl-beta-d-glucopyranoside | 2,3,4,6-tetra-o-galloyl-beta-d-glucopyranoside | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O | ||
| TCMBANKIN058068 | 1,2,4,6-tetra-o-galloyl-β-d-glucose | 1,2,4,6-tetra-o-galloyl-beta-d-glucopyranoside | C34H28O22 | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O | |
| TCMBANKIN058069 | 1,2,3,6-Tetragalloylglucose | [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; 79886-50-3; 1,2,3,6-Tetra-O-galloyl-B-D-glucose; 1,2,3,6-Tgg; beta-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate); 1,2,3,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester; AIDS-070890; 1,2,3,6-Tetra-O-galloyl-beta-D-glucose; [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate; MEGxp0_001175; CHEBI:17527; AIDS070890; [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester; C04516; 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose; ACon1_000379; 1,2,3,6-tetragalloylglucose; 1,2,3,6-tetra-O-galloyl-β-D-glucose; 1,2,3,6-tetra-O-galloyl-β-D-glucopyranose; 1,2,3,6-Tetragalloylglucose; 1,2,3,6-tetra-o-galloyl-beta-d-glucopyranoside; 1,2,3,6-tetra-o-galloyl-beta-d-glucose; 1,2,3,6-tetra-o-galloyl-β-d-glucose; 1, 2, 3, 6-tetra-o-galloyl-beta-d-glucopyranoside | C34H28O22 | 788.6 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O |
| TCMBANKIN058070 | 1,2,3,4,6-pentagalloylglucose | Pentagalloylglucose; DB03208; [(2S,3R,4S,5S,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate; [(2S,3R,4S,5S,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; AC1L9JR6; 1, 2, 3, 4, 6-pentagalloylglucose; ZINC169301047 | C41H32O26 | 940.7 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O |
| TCMBANKIN058079 | ampelopsin | (2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; Flavanone, 3,3',4',5,5',7-hexahydroxy-; 27200-12-0; (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; (+)-Dihydromyricetin; C02906; (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromanone; (+)-Ampelopsin; (2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone; Dihydromyricetin; (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one; 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-; Ampelopsin (flavanol); Ampelopsin; CHEBI:28429; 3,3',4',5,5',7-Hexahydroxy-2,3-dihydroflavanonol; (2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; LS-39586; 27200-12-0; HY-N0112; NCGC00346604-01; Dihydromyricetin, >=98% (HPLC); KS-000001HH; MFCD00189451; UNII-KD8QND6427; AN-8425; CHEBI:28429; AC-8004; 3,3',4',5,5',7-Hexahydroxy-2,3-dihydroflavanonol; (2r,3r)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one; C15H12O8; (2R,3R)-3,3',4',5,5',7-hexahydroxy-2,3-dihydroflavanonol; AJ-47993; TR-031359; (+)-Ampelopsin; KD8QND6427; AK160312; Ampelopsin (flavanol); MolPort-006-069-341; AX8114231; AB0020621; AC1Q6KIA; V1568; (2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone; rac-ampelopsin; CHEMBL3348861; BDBM212434; AKOS022168215; (2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; C02906; (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; M-1204; AC1L4PNK; 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)-; Bio-0899; DTXSID50181676; Dihydromyricetin, analytical standard; Dihydromyricetin; 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-; Dihydromyricetin (diH-Myr); CD0156; ZINC100037633; ST24045966; Ampeloptin; CTK8E2644; CS-3809; BG01609529; Flavanone, 3,3',4',5,5',7-hexahydroxy-; Dihydromyricetin (Ampeloptin); SCHEMBL723736; 2B89FBAC-4DD1-44C9-BE2A-9D0C173BDFD8; (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one; s2399; Q-100341; Dihydromyricetin - Ampeloptin; FT-0686596; (+)-Dihydromyricetin; | C15H12O8 | 320.25 g/mol | C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN058096 | chelidonicacid | AC1NF5P1; 4-oxopyran-2,6-dicarboxylate; I04-10436; CJ-00939; chelidonate; ZB004336; chelidonic acid;Jerva acid;5-18-08-00646 (Beilstein Handbook Reference); AI3-19253; Chelidonic acid; 382272_ALDRICH; 4-Oxo-1,4-pyran-2,6-dicarboxylic acid; TimTec1_001281; gamma-Pyrone-2,6-dicarboxylic acid; SBB000242; Compound xi*; 99-32-1; Compound XI* (Cherry and Hageman); Jervaic acid; NSC3979; 22500_FLUKA; EINECS 202-749-0; C08476; BRN 0163607; 4H-Pyran-2,6-dicarboxylic acid, 4-oxo-; Jervasic acid; .gamma.-Pyrone-2,6-dicarboxylic acid; 4-ketopyran-2,6-dicarboxylic acid; 2,6-Dicarboxyl-4-pyrone; 4-oxopyran-2,6-dicarboxylic acid; 4-Oxo-4H-pyran-2,6-dicarboxylic acid; WLN: T6O DVJ BVQ FVQ; AIDS009896; NSC 3979; AIDS-009896 | C7H4O6 | 184.1 g/mol | C1=C(OC(=CC1=O)C(=O)O)C(=O)O |
| TCMBANKIN058171 | GENOP | BRN 2209119; NCIOpen2_000913; BSPBio_003051; Gentisinic acid polymer; BENZOIC ACID,2,5-DIHYDROXY; AIDS-002955; Salicylic acid, 5-hydroxy-; Spectrum4_001821; 4955-90-2 (SODIUM SALT); KBio1_000538; C00628; KBio2_001721; 5-Hydroxysalicylic acid; Resorcyllic acid, alphaodium 2,5-dihydroxybenzoate; SPBio_000846; KBioSS_001721; Spectrum2_000773; Kyselina gentisinova [Czech]; 39319_FLUKA; 2,5-Dioxybenzoic acid; 2,5-Dhba; Gensigen; 490-79-9; KBioGR_002487; KBio3_002271; 4-10-00-01441 (Beilstein Handbook Reference); Spectrum3_001326; Benzoic acid, 2,5-dihydroxy-; Acidum gentisicum [INN-Latin]; Gentisate; Acido gentisico [INN-Spanish]; Spectrum5_000581; Gentisinic acid; Spectrum_001241; 2,5-Dihydroxybenzoic acid; Kyselina 2,5-dihydroxybenzoova [Czech]; IVK/9045696; NSC27224; KBio2_004289; Acide gentisique [INN-French]; Gentisic acid; DivK1c_000538; NSC8512 (SODIUM SALT); AIDS027706; NSC 27224; AIDS-027706; Gensigon; EINECS 207-718-5; Hydroquinonecarboxylic acid; CHEBI:17189; AI3-60431; WLN: QVR BQ EQ; 149357_ALDRICH; IDI1_000538; AIDS002955; Acido 2,5-diidrossibenzoico [Italian]; Oprea1_039290; NINDS_000538; InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11; KBio2_006857; NSC49098; 2,5-dihydroxy benzoic acid; 2,5-dihydroxybenzoic acid; 2,5-dihydroxy-benzoic acid; gentisicacid; 2, 5-dihydroxybenzoic acid; gentisic acid | C7H6O4 | 154.12g/mol | C1=CC(=C(C=C1O)C(=O)O)O |
| TCMBANKIN058252 | tyramine | AIDS018687; 4-(2-aminoethyl)phenol; p-.beta.-Aminoethylphenol; NINDS_000918; Spectrum2_000738; Spectrum3_000693; Phenol, p-(2-aminoethyl)-; HSDB 2132; tyraminium cation; to_000085; 2-(4-hydroxyphenyl)ethylammonium; Tenosin-Wirkstoff; tyraminium(1+); Spectrum5_000501; Lopac-T-2879; 4-Hydroxyphenethylamine; NSC249188; InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H; BSPBio_002445; SMR000059295; Oprea1_294339; SGCUT00017; AC1NRWHX; KBio2_004261; Uteramine; BB_NC-1362; 2-(4-hydroxyphenyl)ethylazanium; 2-(4-Hydroxyphenyl)ethylamine; SPBio_000696; 3bra; Phenethylamine, p-hydroxy-; Spectrum4_001801; NCGC00063825-05; BRN 1099914; 4-Hydroxy-.beta.-phenylethylamine; 4-Hydroxyphenethylamine ((tyramine); 2-(p-Hydroxyphenyl)ethylamine; 93810_FLUKA; KBio1_000918; 51-67-2 (FREE BASE); NSC 249188; NCGC00063825-04; p-Hydroxy-.beta.-phenethylamine; NCGC00016011-01; 59880-97-6 (HCL); BPBio1_001394; ZB000512; 4-(2-Aminoethyl)phenol; KBioSS_001693; p-Hydroxyphenylethylamine; DivK1c_000918; p-Hydroxyphenethylamine; p-beta-Aminoethylphenol; NCGC00063825-07; .alpha.-(4-Hydroxyphenyl)-.beta.-aminoethane; IDI1_000918; Benzeneethanamine, 4-hydroxy-; tyraminium; WLN: Z2R DQ; beta-Hydroxyphenylethylamine; A828724; alpha-(4-Hydroxyphenyl)-beta-aminoethane; KBio2_001693; KBio3_001665; p-Tyramine; 4-Hydroxyphenylethylamine; T90344_ALDRICH; Tocosine; KBio2_006829; MLS000079096; Phenol, 4-(2-aminoethyl)-; EINECS 200-115-8; BDBM50067723; 2-(4-hydroxyphenyl)ethanaminium; Tyrosamine; .beta.-(4-Hydroxyphenyl)ethylamine; C00483; Biomol-NT_000075; Tyramine; Systogene; 4-13-00-01788 (Beilstein Handbook Reference); p-(2-Aminoethyl)phenol; 51-67-2; 2-(4-Hydroxy-phenyl)-ethyl-ammonium; Spectrum_001213; Lopac0_001136; NCGC00063825-08; CJ-00085; CHEBI:15760; CHEBI:327995; KBioGR_002405; SPECTRUM210400; LS-189905; (4-hydroxyphenethyl)ammonium; AIDS-018687; Tyramin; 4-Hydroxyphenethylaminium | C8H11NO | 137.18 | C1=CC(=CC=C1CCN)O |
| TCMBANKIN058255 | Tyrosol | NSC 59876; 4-Hydroxybenzeneethanol; P-HYDROXYPHENETHYL ALCOHOL; NSC59876; tyrosol; 56105_FLUKA; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 2-(P-HYDROXYPHENYL)ETHANOL; ZINC00164581; SB 01196; 4-(2-hydroxyethyl)phenol; InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H; EINECS 207-930-8; 4-Hydroxyphenylethanol; CHEBI:1879; 501-94-0; 188255_ALDRICH; 79058_FLUKA; C06044; 2-(4-hydroxyphenyl)-ethanol; 4-hydroxyphenethyl alcohol; p-hydroxyphenylethanol; p-hydroxyphenethyl alcohol; 2-(4-hydroxyphenyl)ethanol; p-hydroxyphenylethyl alcohol | C8H10O2 | 138.16 g/mol | C1=CC(=CC=C1CCO)O |
| TCMBANKIN058316 | Flavonol | 4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl-, ion(1-) (9CI); Oprea1_692205; BSPBio_003164; KBio2_005944; WLN: T66 BO EVJ CR& DQ; SpecPlus_000831; Spectrum3_001432; Oprea1_038914; H4280_SIGMA; NCGC00095653-01; NSC58585; DivK1c_006927; 85481-91-0; Spectrum5_000350; KBioGR_002250; Flavone, 3-hydroxy-; CHEBI:71993; 3-hydroxy-2-phenyl-chromen-4-one; KBio2_000808; ACon1_000167; EINECS 209-416-9; KBio2_003376; 3-hydroxy-2-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl-; Spectrum_000328; NSC 57653; SDCCGMLS-0066736.P001; Flavon-3-ol; FLAVONE,3-HYDROXY-; KBio1_001871; SBB000767; MEGxp0_001695; Spectrum4_001845; AIDS001394; SPECTRUM1501012; 577-85-5; 3-hydroxy-2-phenyl-chromone; ZINC00057675; AIDS-001394; 3-Hydroxyflavone; C01495; SPBio_001404; 3-hydroxy-2-phenylchromone; flavonol; 3-hydroxy-2-phenyl-4H-1-benzopyran-4-one; EU-0001678; CHEBI:5078; 3-hydroxy-2-phenyl-4H-chromen-4-one; 3-hydroxy-2-phenyl-4-chromenone; Spectrum2_001392; NSC 58585; NSC57653; 3-HF; KBio3_002384; KBioSS_000808; flavonols | C15H10O3 | 238.24 g/mol | C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O |
| TCMBANKIN058450 | ADO | nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside | C10H13N5O4 | 267.24 g/mol | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
| TCMBANKIN058521 | (-)-epicatechin-3-gallate | epicatechin-3-gallate; L-Epicatechin gallate; (-)-epicatechin gallate; (+)- Catechin gallate table; catechin gallate; 7-o-galloyl- (+) -catechin; (-)-epicatechin-3-o-gallate; (?)-epicatechin-3-o-gallate; (-)-Catechin gallate; Epicatechin gallate; (-)-Epicatechin-3-gallate; KBioSS_000794; 1257-08-5; DivK1c_006371; Spectrum2_000165; NSC 636594; KBioGR_001980; Epicatechol, 3-gallate, (-)- (8CI); [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; (−)-Epicatechin gallate; SPECTRUM210238; KBio2_003362; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; MEGxp0_000810; KBio1_001315; (-)-Epicatechin gallate; SpecPlus_000275; BSPBio_001632; KBio2_000794; SPBio_000029; (−)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; Spectrum5_000080; SDCCGMLS-0066549.P001; Spectrum3_000246; E3893_SIAL; Spectrum_000314; Epicatechol, gallate (6CI); 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; KBio3_001132; Spectrum4_001540; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-; AIDS000675; 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; KBio2_005930; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; (−)-cis-3,3′,4′,5,7-Pentahydroxyflavane 3-gallate; AIDS-000675; catechin gallate ; catechin-3 gallate; CG; 7-o-galloyl-(+)-catechin; (-)-Epicatechin-3-O-gallate,; (-)-Epicatechin-3-gallate,; (-)-epicatechin 3-o-gallate ; SpecPlus_000275; (-)-Epicatechin gallate; KBioSS_000794; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; LMPK12020090; KBio2_003362; ECG; 92587OVD8Z; 1257-08-5; 3,4,5-Trihydroxybenzoic Acid (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl Ester; AS-15722; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-; UNII-92587OVD8Z; KBio3_001132; 3-Galloyl-(2R,3R)-(-)-Epicatechin; SR-05000002675; (-)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; CCG-38376; (-) epicatechin gallate; NSC636594; 3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester; 3-O-Galloylepicatechin; CHEMBL36327; BDBM50153015; (-)-epicatechingallate; Epicatechin gallate; (-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallate; AM84365; Q-200002; Epicatechol, 3-gallate, (-)-; ZINC3978503; SCHEMBL39047; C-22380; KBio1_001315; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; epi-Catechin 3-O-gallate; MolPort-001-740-964; (-)-epi-Catechin 3-O-gallate; DivK1c_006371; Epicatechol, gallate (6CI); (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate; C22H18O10; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-; BRD-K50660797-001-01-0; NSC 636594; epicatechin-3-O-gallate; Epicatechin 3-gallate; (-)-Epicatechin-3-gallate; (-)-Epicatechin gallate,; (-)epicatechingallate; HY-N0002; epicatechin gallate, (2R-cis)-isomer; L-Epicatechin gallate; NCGC00179135-01; (-)-Epicatechin-3-O-gallate; KBio2_000794; SDCCGMLS-0066549.P001; CTK8E0233; epicatechin monogallate; CS-3761; BSPBio_001632; 3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester; 2.57E+87; AC-6037; AN-48941; Teatannin; Spectrum_000314; Spectrum5_000080; MEGxp0_000810; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; Epicatechin gallate, primary pharmaceutical reference standard; Spectrum2_000165; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; Epicatechol, gallate; NP-002326; AC1L32YN; 3-Galloyl-(-)-epicatechin; (-)-Epicatechin 3-O-gallate; SPECTRUM210238; SPBio_000029; ST24033389; AC1Q5X10; Epicatechol, 3-gallate, (-)- (8CI); KBio2_005930; AJ-47571; MCULE-8110076741; Spectrum4_001540; epicatechin gallate (ECG); E0890; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; (-)-Epicatechin gallate, >=98% (HPLC), from green tea; AKOS015965216; SR-05000002675-1; 3-Gallate(-)-Epicatechol; CHEBI:70255; KB-277863; LS-38401; LSHVYAFMTMFKBA-TZIWHRDSSA-N; (-)-cis-3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane 3-gallate; MFCD00075936; AX8001457; AB0017581; KBioGR_001980; Spectrum3_000246; CE0014; Q429; AIDS-231457; [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; AIDS231457; 3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; (-)-epicatechin gallate; epicatechin-3 gallate; 3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; epicatechin gallate ; [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; Epicatechin-3-gallate; [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; epicatechin gallate; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, cis-; Epicatechin-3-galloyl ester; 863-03-6 | C22H18O10 | 442.4 g/mol | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| TCMBANKIN058601 | oxysophocarpine | N1280; AC-7981; SCHEMBL15133349; 26904-64-3; N-Oxysophocarpine; n-oxysophocarpine; AKOS015965398; 2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one 4-oxide #; QMGGMESMCJCABO-UHFFFAOYSA-N; Oxysophocarpine; Sophocarpine, N-oxide; 6-OXO-7,13-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADEC-4-EN-13-IUM-13-OLATE; AC1LDHOM; FT-0689395; sophocarpine n-oxide; N-oxysophocarpine; OXYSOPHOCARPINE | C15H22N2O2 | 262.35 g/mol | C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-] |
| TCMBANKIN058631 | stylopine | stylopine ; AKOS000277993; AC1LF4K6; SCHEMBL14703887; J0JS75Q12Z; BG01035160; l-Tetrahydrocoptisine; tetrahydrocoptisine; 2,3:9,10-Bis(methylenedioxy)-13a-alpha-berbine; l-Stylopine; MolPort-000-882-001; ZINC20470298; UNII-J0JS75Q12Z; AJ-77777; (1R)-5,7,17,19-TETRAOXA-13-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(3).0(1)?,(2)?]TETRACOSA-2,4(8),9,15(23),16(20),21-HEXAENE; (-)-Tetrahydrocoptisine; 4H-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine, 6,7,12b,13-tetrahydro-, (S)- (9CI); AKOS016023688; Stylopine; (S)-Stylopin; 13a-alpha-BERBINE, 2,3:9,10-BIS(METHYLENEDIOXY)- | C19H17NO4 | 323.34 | C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
| TCMBANKIN058704 | lupeol | AC-1371; AKOS015960466; SCHEMBL14067725; 4CN-0933; C08628; BC201808; Lup-20(29)-en-3.beta.-ol; NSC90487; ZINC04081455; D0RA6H; Lupeol; LMPR01060013; lupeol ; Monogynol B; .beta.-Viscol; NCI60_042005; lup-20(29)-en-3beta-ol; Lupenol | C30H50O | 426.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| TCMBANKIN059147 | ergosterin | ergosterol;24-Methylcholesta-5,7,22-trien-3beta-ol; 24alpha-Methyl-22E-dehydrocholestero; (3beta,22E)-Ergosta-5,7,22-trien-3-ol; (7S,9AR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; 45480_FLUKA; (24R)-Ergosta-5,7,22-trien-3b-ol; MEGxm0_000450; Ergosterin; 24R-Methylcholesta-5,7,22E-trien-3b-ol; 57-87-4; Ergosterol; ergosta-5,7,22E-trien-3beta-ol; (3beta)-Ergosta-5,7,22-trien-3-ol; C01694; 5,7,22-Ergostatrien-3beta-ol; AIDS064232; E6510_SIGMA; Provitamin D2; (22E)-Ergosta-5,7,22-trien-3.beta.-ol; A831651; ergosta-5,7,22-trienol; ergosta-5,7,22-trien-3 beta-ol; 24R-Methylcholesta-5,7,22E-trien-3beta-ol; ACon0_000429; ERG; ST073383; (3S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 24-Methylcholesta-5,7,22-trien-3b-ol; ACon1_000637; (3beta,2E)-Ergosta-5,7,22-trien-3-ol; Provitamine D2; AIDS-064232; 24a-Methyl-22E-dehydrocholesterol; ergosta-5,7,22-trien-3-ol; 47130U_SUPELCO; LMST01030093; (22E)-ergosta-5,7,22-trien-3beta-ol; ZINC04084618; (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 3beta-Hydroxy-5,7,22-ergostatriene; CHEBI:16933; (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol | C28H44O | 396.6 g/mol | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| TCMBANKIN059425 | atractylodin | C13H10O | 182.22 | CC=CC#CC#CC=CC1=CC=CO1 | |
| TCMBANKIN059819 | atractylenolide i | C15H18O2 | 230.3 | CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C | |
| TCMBANKIN059927 | Stypandrol | C26H22O6 | 430.4 g/mol | CC1=CC2=C(C(=C(C=C2)C3=C(C4=C(C=C3)C=C(C(=C4O)C(=O)C)C)O)O)C(=C1C(=O)C)O | |
| TCMBANKIN059928 | emodin | C15H10O5 | 270.24 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O | |
| TCMBANKIN059929 | physcion | C16H12O5 | 284.26 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC | |
| TCMBANKIN059932 | chrysophanol | C15H10O4 | 254.24 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O | |
| TCMBANKIN060056 | atractylone;atractylon | C15H20O | 216.32 | CC1=COC2=C1CC3C(=C)CCCC3(C2)C | |
| TCMBANKIN060160 | quercitrin | C21H20O11 | 448.4 g/mol | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | |
| TCMBANKIN060677 | alpha-spinasteryl-β-d-glucoside | CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |||
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060947 | Sanleng acid | C18H34O5 | 330.46 | CCCCCCCCC(C(C=CC(CCCCC(=O)O)O)O)O | |
| TCMBANKIN061110 | 10-nonacosanol | C29H60O | 424.8 g/mol | CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O | |
| TCMBANKIN061131 | PENTACOSANE | C25H52 | 352.7 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061138 | Montanic acid | C28H56O2 | 424.7 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061139 | n-nonacosane | C29H60 | 408.79 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061140 | Melissic acid | C30H60O2 | 452.8 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061282 | methylamine | CH5N | 31.057 g/mol | CN | |
| TCMBANKIN061292 | chelidimerine | C43H32N2O9 | 720.72 | CN1C(C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)CC(=O)CC7C8=C(C=CC9=C8OCO9)C1=C(N7C)C2=CC3=C(C=C2C=C1)OCO3 | |
| TCMBANKIN061309 | (+/-)-Homochelidonine | C21H23NO5 | 369.4 g/mol | CN1CC2=C(C=CC(=C2OC)OC)C3C1C4=CC5=C(C=C4CC3O)OCO5 | |
| TCMBANKIN061320 | cryptopine | C21H23NO5 | 369.41 | CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C4=C(C=C3)OCO4)OC)OC | |
| TCMBANKIN061353 | allocryptopine | CCG-104087;Oprea1_535693; .alpha.-Fagarine;alpha-allocryptopine;Fagarine I; beta-Allocryptopine; 3,4-Dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one; Allocrytopine; 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methylbenzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one; AIDS-138447; .gamma.-Homochelidonine; 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methyl(1,3)benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one; Thalictrimine; [1,3]Benzodioxolo[5,6-e][2]benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-; Allocryptopine; NSC148824; .beta.-Homochelidonine; ST5219181; ACon1_000293; BAS 00216246; Benzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl- (VAN) (8CI)(9CI); EINECS 207-626-5; Benzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-; gamma-Homochelidonine; MLS000765018; Taliktrimin (thalictrimine); 24240-04-8; MEGxp0_001784; alpha-Allocryptopine; NSC 404531; NSC404531; NSC645286; Oprea1_700961; beta-Homochelidonine; .beta.-Allocryptopine; AIDS138447; .alpha.-Allocryptopine; alpha-Fagarine; CHEBI:17390; SMR000283023; Benzo[e][1,3]dioxolo[4,5-k][3]benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-; C02134; 485-91-6;beta-allocryptopine; 3,4-Dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one; AC1Q6OPD; 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methylbenzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one; BDBM50130203; .gamma.-Homochelidonine; Taliktrimin; Bio-0227; STL372863; BG01657712; Taliktrimin (thalictrimine); MEGxp0_001784; 48216-02-0; HMS2735D09; BBL027872; FT-0632205; .beta.-Allocryptopine; MolPort-001-742-532; allo-cryptopine; alpha-Fagarine; SMR000283023; 3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-g]benzo[c]azecin-14(6H)-one; C02134; Benzo[e][1,5-k][3]benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl- (VAN8C; [1,3]Benzodioxolo[5,6-e][2]benzazecin-14(6H)-one,5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-; 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methyl(1,3)benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one; Thalictrimine; Allocryptopin; MCULE-6414657551; 3,4-dimethoxy-6-methyl-5,6,7,8,14,15-hexahydrobenzo[c][1,3]dioxolo[4',5':4, 5]benzo[g]azecin-14-one; SCHEMBL673252; Q-100541; NSC-148824; Benzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-; 24240-04-8; NSC404531; Fagarine I; CHEMBL520043; AKOS000730626; CHEBI:17390; AC1Q4720; beta-Allocryptopine; 7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.0^{4,9}.0^{16,20}]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one; C-21100; AC1L409I; NSC-404531; NSC148824; BG00708515; BRD-K86670801-001-01-1; BAS 00216246; EINECS 207-626-5; 4CN-1540; alpha-Allocryptopine; W1169; EK27J8ROYB; beta-Homochelidonine; Oprea1_535693; 485-91-6; NSC645286; .alpha.-Fagarine; Allocrytopine; UNII-EK27J8ROYB; [1,3]Benzodioxolo[5,6-e][2]benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-; Allocryptopine; .beta.-Homochelidonine; 3,4-dimethoxy-6-methyl-5H,7H,8H,11H,15H-benzo[1'',2''-8',9']azecino[5',4'-2,1] benzo[4,5-d]1,3-dioxolan-14-one; ACon1_000293; NSC-645286; FT-0701356; HYBRYAPKQCZIAE-UHFFFAOYSA-N; Benzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl- (VAN) (8CI)(9CI); gamma-Homochelidonine; MLS000765018; NSC 404531; ST50219181; ZINC19204597; Oprea1_700961; 9084AF; .alpha.-Allocryptopine; 3,4-Dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one # | C21H23NO5 | 369.4 g/mol | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3 |
| TCMBANKIN061354 | Fumarine | C05189; TNP00339; 7-methyl-2,3:9,10-bis[methylenebis(oxy)]-7,13a-secoberbin-13a-one; ST036759; Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; Bis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; HSCI1_000268; EINECS 204-999-6; AIDS-040935; Corydinine; 4,6,7,14-Tetrahydro-5-methyl-bis(1,3)benzodioxolo(4,5-c-5',6'-g)azecin-13(5H)-one; Oprea1_722246; NCGC00142402-01; Biflorine; Macleyine; 130-86-9; NCGC00017389-01; 7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:9,10-bis(methylenedioxy)-; Alk-3; 6164-47-2 (HCL); Oprea1_718853; AIDS040935; 7-Methyl-2,3:9,10-bis(methylenedioxy)-7,13a-secoberbin-13a-one; HSDB 3527; CHEBI:16415; AI3-62909; ACon1_001550; DTXSID00178935; Bis(1,3)benzodioxolo(5,6-c:5',6'-g)azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; Bis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6H)-one,5,7,8,15-tetrahydro-6-methyl-; AC1L4H3I; CHEMBL486179; 14-METHYL-7,9,20,22-TETRAOXA-14-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(3)]TETRACOSA-1(24),4,6(10),11,17,19(23)-HEXAEN-2-ONE; CTK4F3162; MCULE-2865552640; BDBM50377937; 24240-05-9; AC1Q6P91; NCGC00385257-01_C20H19NO5_1,3-Benzodioxolo[5,6-c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; C20H19NO5; protopine ; Pseudoprotopine; MolPort-028-610-216; 6-methyl-5,7,8,15-tetrahydrobis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6h)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:10,11-bis(methylenedioxy)-; ZINC31502517; protopine | C20H19NO5 | 353.37 | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 |
| TCMBANKIN061378 | n-(2-methulaminobenzoyl)tryfamine | N-(2-Methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-methylamino-benzamide; N-[2-(1H-indol-3-yl)ethyl]-2-methylaminobenzamide; n-(2-methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide; AC1NSY7J | 293.4 | CNC1=CC=CC=C1C(=O)NCCC2=CNC3=CC=CC=C32 | |
| TCMBANKIN061534 | (-)-sparticarpin | C10531; LMPK12070062; CHEBI:118; DTXSID60331963; (?)-Sparticarpin; AC1L9DGK; (6aR,11aR)-2,3-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol; 73793-85-8; (-)-Sparticarpin; (?)-sparticarpin | C17H16O5 | 300.3 g/mol | COC1=C(C=C2C(=C1)C3C(CO2)C4=C(O3)C=C(C=C4)O)OC |
| TCMBANKIN061547 | (+)-isolariciresinol;(2R,3R,4S)-4-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-2,3-dimethylol-tetralin-6-ol;isolariciresinol | 26568-14-9; (6R,7R,8S)-8-(4-hydroxy-3-methoxy-phenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol; 47477-27-0; (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol; (2R,3R,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-6-tetralinol; 2,3-Naphthalenedimethanol, 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, (1S-(1alpha,2beta,3alpha))-; 548-29-8; Arbo 3; 1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol; (2R,3R,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-6-ol | C20H24O6 | 360.4 | COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O |
| TCMBANKIN061549 | schizandriside;(-)-isolariciresinol-2a-o-beta-d-xylopyranoside | C25H32O10 | 492.5 g/mol | COC1=C(C=C2C(C(C(CC2=C1)CO)COC3C(C(C(CO3)O)O)O)C4=CC(=C(C=C4)O)OC)O | |
| TCMBANKIN061675 | berberime | berberine ; isoquinoline alkaloid; berberine | C20H18NO4+ | 336.4 g/mol | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
| TCMBANKIN061820 | 3-(4-methoxyphenyl)-2-propenal | 3-(4-methoxyphenyl)acrylaldehyde; (E)-3-(4-methoxyphenyl)prop-2-enal; p-methoxycinnamaldehyde; p-MeO-cinnamaldehyde; AXCXHFKZHDEKTP-NSCUHMNNSA-N; RP17390; CJ-05236; 4-Methoxycinnamaldehyde; p-Methoxy cinnamaldehyde; trans-p-Methoxycinnamaldehyde, analytical standard; I14-56551; para-METHOXY CINNAMIC ALDEHYDE (PMCA); KB-193129; ST2417372; BRD-K19243101-001-01-6; TL80073683; UNII-54098389BL; (2E)-3-(4-methoxyphenyl)acrylaldehyde; AMBZ0230; NSC-26454; trans-p-Methoxycinnamaldehyde; FEMA No. 3567; AI3-05957; trans-4-methoxy cinnamaldehyde; ZINC1531852; CHEMBL452173; MFCD00017343; ghl.PD_Mitscher_leg0.403; (2E)-3-(4-Methoxyphenyl)-2-propenal #; Cinnamaldehyde, p-methoxy-; AK306471; bmse010142; DTXSID1044308; J-501926; Para-methoxy cinnamaldehyde; NSC26454; NSC 26454; AKOS015851928; 2-Propenal, 3-(4-methoxyphenyl)-; BG01501139; p-methoxy cinnamaldehyde; NSC-134287; (2E)-3-(4-Methoxyphenyl)-2-propenal; AC1Q6PPJ; (E)-3-(4-methoxyphenyl)-2-propenal; Cinnamaldehyde, p-methoxy-, (E)-; PK04_096267; Cinnamaldehyde, p-methoxy- (8CI); 3-(4-Methoxyphenyl)-(2E)-2-propenal; (E)-para-methoxycinnamaldehyde; W356700_ALDRICH; InChI=1/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2; NCGC00171001-01; 3-(4-methoxyphenyl)prop-2-enal; (E)-3-(4-methoxyphenyl)-acrylaldehyde; Methoxycinnamaldehyde, p-; RTR-009115; 3-(4-methoxyphenyl)acrolein; 2-propenal, 3-(4-methoxyphenyl)-, (2E)-; (E)-3-(4-methoxyphenyl)acrolein; EN300-96338; Z3586; EINECS 217-807-0; NSC134287; (2E)-3-(4-methoxyphenyl)prop-2-enal; 3-(4-Methoxyphenyl)-2-propenal; I01-9542; 24680-50-0; 4-methoxy cinnamaldehyde; (E)-3-(4-Methoxyphenyl)acrylaldehyde; (E)-4-methoxycinnamaldehyde; C10475; MolPort-020-168-614; 3-(4-Methoxyphenyl)propenal; trans-p-Methoxycinnamaldehyde, >=98%, stabilized; 1963-36-6; trans-4-Methoxycinnamaldehyde; 54098389BL; AJ-26736; p-Methoxycinnamic aldehyde; ST50827243; AC1LD2JJ; para-Methoxy cinnamic aldehyde; AK128287; M1012; TR-009115; SCHEMBL514958; ZINC01531852; p-methoxy-cinnamaldehyde;p-Methoxycinnamaldehyde | C10H10O2 | 162.19 | COC1=CC=C(C=C1)C=CC=O |
植物对应的疾病
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植物对应的靶点
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