Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE005716 |
YEM_ID: | YEM-243 |
ID: | TCMBANKHE005716/YEM-243 |
植物拉丁名: |
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功能与主治: | To cause Taxation.;Purging by moisterizing/Blood and liquid depletion, intestinal dry and constipation. |
药用植物名: | 火麻仁;麻子仁|大麻 |
药名: | 大麻 |
来源: | 云南民族药物志：第二卷 |
药用部位: | ripe seed;Cannabis sativa Linne |
使用民族: | 阿昌族/傣族/德昂族/哈尼族/景颇族/傈僳族/苗族/彝族/藏族 |
药味: | Mild; Sweet |
经络: | Spleen; Large Intestine; Stomach |
临床特征: | 1. Laxative. Stimulating the intestinal mucosa, increasing secretion, decreasing water absorption and accelerating intestinal peristalsis.2. Lowering the blood pressure in anesthetized cats and normal rats. Hypotensive for patients with hypertension after |
治疗类型: | 润下药;泻下 |
TCM_ID_id: | 6070;1779 |
SymMap_id: | 190 |
TCMSP_id: | 975;499 |
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 |
|---|
| TCMBANKIN000012 | cannabichromene | NSC-291831; 2-Methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromen-5-ol; ( inverted exclamation markA)-Cannabichromene; 2H-1-Benzopyran-5-ol,2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-; BDBM50318486; AKOS032948832; LS-39404; 2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, (.+/-.)-; CHEMBL422704; 2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromen-5-ol; 2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-; Cannabinochromene; 18793-28-7; 2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol; Cannanbichromene; SCHEMBL144938; UVOLYTDXHDXWJU-UHFFFAOYSA-N; AC1L1J1X; CHEBI:3357; 2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-chromen-5-ol; 2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-1-benzopyran-5-ol; Cannabichchromene; MolPort-039-052-650; (+/-)-Cannabichromene; NSC291831; 2H-1-Benzopyran-5-ol, (.+-.)-; BC272060; 20675-51-8; 2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2H-chromen-5-ol(cannabichromene); 4CN-2453; CANNABICHROMENE; (.+/-.)-Cannabichromene; C08998; Cannabichrome; Pentylcannabichromene | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O |
| TCMBANKIN000041 | Isoxanthohumol | isoxanthohumol | C21H22O5 | 354.4 | CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C |
| TCMBANKIN000052 | cannabidiol | abn-cbd, (-)-4-(3-3,4-trans-p-menthadien-[1,8]-yl)olivetol; SCHEMBL16224872 | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O |
| TCMBANKIN000962 | campesterol | campesterol ; FT-0082089; Augelicincampesterol; (24R)-5-Ergosten-3; (1R,3AS,3BR,9AS,9BS,11AR)-1-[(2R,5R)-5,6-DIMETHYLHEPTAN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,5AH,6H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; A-ol; 24(R)-Ergost-5-en-3beta-ol; 24alpha-Methyl-5-cholesten-3beta-ol; AK307302; SC-66911; (8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; AKOS027320474; MFCD00010475; Campesterin; MolPort-035-882-175 | C28H48O | 400.68 | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| TCMBANKIN001948 | Wilfornine | wilfornine | C42H48N2O18 | 868.8 g/mol | CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=CC=CC=N6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C |
| TCMBANKIN001985 | Triptofordin B1 | triptofordin b1 | C29H34O6 | 478.6 g/mol | CC1(C2CC(C3(C(CCC(C3(C2)O1)(C)O)OC(=O)C4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5)C |
| TCMBANKIN002135 | 5-indanol | C9H10O | 134.17 g/mol | C1CC2=C(C1)C=C(C=C2)O | |
| TCMBANKIN002471 | Triptofordin F3 | triptofordin f3 | 710.79 | CC(=O)OCC12C(C(CC(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C5=CC=CC=C5 | |
| TCMBANKIN002879 | arachidonic acid | (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid; cis-5,8,11,14-Eicosatetraenoic acid; 3435-81-2; 5Z,8Z,11Z,14Z-icosatetraenoic acid; cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid; C00219; ACD; Arachidonsaeure; arachidonicacid; DTXSID40473870; (5Z,8Z,11Z,14Z)-Icosatetraenoic acid; ST069383; 93444-49-6; (14C)Arachidonic acid; NCGC00094608-04; 5,8,11,14-Eicosatetraenoic acid, labeled with carbon-14, (all-Z)-; A3555_SIGMA; 5Z,8Z,11Z,14Z-eicosatetraenoic acid; all-cis-5,8,11,14-eicosatetraenoic acid; IDI1_034009; ARACHIDONIC ACID, [1-14C]-; BSPBio_001539; NCGC00094608-02; NCGC00094608-03; AIDS045704; CHEBI:15843; NCGC00094608-01; (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid; cis-Delta(5,8,11,14)-eicosatetraenoic acid; A3925_SIGMA; ACM3435812; Spectrum5_001910; Arachidonic acid-carboxy-14C; A9673_SIGMA; LMFA01030001; AIDS-045704; 10931_FLUKA; <i>cis,cis,cis,cis</i>-5,8,11,14-Eicosatetraenoic Acid | C20H32O2 | 304.5 g/mol | CCCCCC=CCC=CCC=CCC=CCCCC(=O)O |
| TCMBANKIN003164 | hypolide methyl ether | C21H26O3 | CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)OC | ||
| TCMBANKIN003486 | Triptofordin C2 | triptofordin c2 | C33H38O11 | 610.6 g/mol | CC(=O)OC1C(CC(C23C1(C(C(C(C2OC(=O)C)C(O3)(C)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C)(C)O)O |
| TCMBANKIN004711 | 1β,7β,8α-triacetoxy-2β-furanoyl-4α-hydroxy-11-isobutyryloxy-dihydroagarofuran | CC(C)C(=O)OCC12C(C(CC(C13C(C(C(C2OC(=O)C)OC(=O)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C4=COC=C4)OC(=O)C | |||
| TCMBANKIN006034 | Triptofordin F2 | triptofordin f2 | 668.75 | CC(=O)OCC12C(C(CC(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C | |
| TCMBANKIN006316 | (R)-2-butanol | (-)-2-butanol; 14898-79-4; (R)-Butan-2-ol; (R)-(−)-sec-Butyl alcohol; (2R)-butan-2-ol; (R)-(-)-sec-butyl alcohol; (R)-(-)-2-butanol; CHEBI:35686; 236691_ALDRICH; EINECS 238-967-8; ZINC01622055; (R)-(−)-2-Butanol | C4H10O | 74.12 | CCC(C)O |
| TCMBANKIN006825 | triptotriterpenicacid a' | CC1(CCC2(CC(C3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)O)C(=O)O)C | |||
| TCMBANKIN007479 | Neouralenol | 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxy-chromen-4-one; 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxy-4-chromenone; 3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]chromen-4-one; XHGNOEWBXVPYDM-UHFFFAOYSA-N; 4H-Benzopyran-4-one, 2-(3,4-dihydroxy-2-(3-methyl-2-butenyl)phenyl)-3,6,7-trihydroxy-; 139163-16-9; neouralenol; AC1NUP13; 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxychromen-4-one; 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxy-chromone; DTXSID10160947 | C20H18O7 | 370.4 g/mol | CC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=CC(=C(C=C3O2)O)O)O)C |
| TCMBANKIN007752 | triricinolein | AC1Q63DE; Glycerol triricinoleate; 2,3-bis[[(E)-12-hydroxyoctadec-9-enoyl]oxy]propyl (E)-12-hydroxyoctadec-9-enoate; NSC-93749; Ricinolein, tri-; 2540-54-7; Glyceryl triricinoleate; AC1NT19R; NSC93749; ZEMPKEQAKRGZGQ-GXCCKLQBSA-N; 9-Octadecenoic acid, 1,2,3-propanetriyl ester, stereoisomer; 1-O,2-O,3-O-Tris(12-hydroxy-9-octadecenoyl)glycerol; Triricinolein; 9-Octadecenoic acid, 1,2,3-propanetriyl ester, [R-[R*,R*,R*-(Z,Z,Z)]]-; Propane-1,2,3-triyl tris(12-hydroxyoctadec-9-enoate), stereoisomer; propane-1,2,3-triyl tris(12-hydroxyoctadec-9-enoate) | C57H104O9 | 933.4 g/mol | CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O)O |
| TCMBANKIN007931 | Regelindiol A | methyl (1R,4aR,6bR,10S,12aR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylate; AC1NT002; regelindiol a | C31H50O4 | 486.73 | CC1C(CC(C2(C1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C)O)C(=O)OC |
| TCMBANKIN008024 | 21-Hydroxy-30-norhopan-22-one | 21-hydroxy-30-norhopan-22-one; 1-[(3R,3aR,5bR,11aS,13aR)-3-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-3-yl]ethanone; AC1NSWNO | C29H48O2 | 428.77 | CC(=O)C1(CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C)O |
| TCMBANKIN009256 | Triptofordin B2 | triptofordin b2 | 608.69 | CC(=O)OC1C2C(C(C3(C1(C(CC(=O)C3OC(=O)C)(C)O)OC2(C)C)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 | |
| TCMBANKIN009261 | Triptofordin D2 | triptofordin d2 | 650.78 | CC(=O)OCC12C(CCC(C13C(C(C(C2OC4=CC=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C=CC5=CC=CC=C5 | |
| TCMBANKIN009333 | 1,8-dihydroxy-4-hydroxymethyl anthraquinone | C15H10O5 | 270.24 g/mol | C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)CO)O | |
| TCMBANKIN010282 | MEHQ | 1-Hydroxy-4-methoxybenzene; p-Guaiacol; Novo-Dermoquinona; EINECS 205-769-8; WLN: QR DO1; Mequinol [DCF:INN]; p-Methoxyphenol; Leucobasal; 4-Hydroxyphenol, polymer-bound; Hydroquinone monomethyl ether; PHENOL,4-METHOXY; Phenol, 4-methoxy-; Mono methyl ether hydroquinone; 4-Methoxyphenol; Mequinol (USAN); InChI=1/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H; M18655_ALDRICH; HQMME; Mequinol; CCRIS 5531; Mequinolum [INN-Latin]; Monomethyl ether hydroquinone; Mechinolo [DCIT]; 54050_FLUKA; 650382_ALDRICH; HSDB 4258; 4-Hydroxyanisole; NSC 4960; Mechinolum; p-Hydroxyanisole; Leucodine B; AI3-00841; NCGC00091390-01; PMF (antioxidant); p-Hydroxymethoxybenzene; Usaf an-7; 150-76-5; SB 01123; BMS 181158; ZINC00001684; NSC4960; NCI60_004190; D04926; Hydroquinone methyl ether; Phenol, p-methoxy-; NCIMech_000709 | C7H8O2 | 124.14 | COC1=CC=C(C=C1)O |
| TCMBANKIN010333 | 1β-furanoyl-2β,3α,7α,8β,11-pentaacetoxy-4α,5α-dihydroxy-dihydroagarofuran | C30H38O16 | CC(=O)OCC12C(C(C3C(C1(C(C(C(C2OC(=O)C4=COC=C4)OC(=O)C)OC(=O)C)(C)O)OC3(C)C)O)OC(=O)C)OC(=O)C | ||
| TCMBANKIN010442 | Celapanine | celapanine | C30H35NO10 | 569.6 | CC1CCC(C2(C13C(C(C(C2OC(=O)C4=CN=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C5=COC=C5)C)OC(=O)C |
| TCMBANKIN010678 | 16-hydroxy-19,20-epoxy-kaurane | C20H32O2 | CC12CCCC3(C1CCC45C3CCC(C4)C(C5)(C)O)COC2 | ||
| TCMBANKIN011319 | germacrene | germacrene d; Germacrene-D | C15H24 | 204.35 | CC1=CCCC(=CCC(CC1)C(=C)C)C |
| TCMBANKIN011623 | Triptotriterpenoidel lactone A | triptotriterpenoidel lactone a | 452.79 | CC1(CCC23CC(CC2=O)C4(C(=CCC5C4(CCC6C5(CCC(C6(C)C)O)C)C)C3C1)C)C | |
| TCMBANKIN011755 | Triptoriterpenic acid A | triptoriterpenic acid a | 488.78 | ||
| TCMBANKIN012468 | Tripdiotolnide | tripdiotolnide | 360.44 | C.CC(C)C12C(O1)C(C3=C(C2O)C(=O)CC4C3(CCC5=C4COC5=O)C)O | |
| TCMBANKIN012782 | Triptotriterpenic acid A | AKOS032961770; 3,22-Dihydroxyolean-12-en-29-oic acid; 808769-54-2; triptotriterpenicacid a; MolPort-039-052-646; CHEMBL482586; 3alpha,22beta-Dihydroxyoleana-12-ene-29-oic acid; ZINC36435563; triptotriterpenic acid a | C30H48O4 | 472.7 g/mol | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5O)(C)C(=O)O)C)C)C)C |
| TCMBANKIN012894 | TRIPTONOLIDE | triptonolide; 6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione; AC1NT199 | C20H22O4 | 326.4 g/mol | CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2=O)COC4=O)C)O |
| TCMBANKIN014369 | 1β-furanoyl-2β,3α,7α,8β,11-pentaacetoxy-5α-hydroxy-dihydroagarofuran | C30H38O15 | CC1C(C(C(C2(C13C(C(C(C2OC(=O)C)OC(=O)C)C(O3)(C)C)O)COC(=O)C)OC(=O)C4=COC=C4)OC(=O)C)OC(=O)C | ||
| TCMBANKIN015260 | isowilfortrine | C41H47NO20 | CC1C2=C(C=NC=C2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC(=O)C1(C)O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C | ||
| TCMBANKIN015693 | Wilforzine | wilforzine | 825.89 | CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=CC=CC=C6)O)COC(=O)C)OC(=O)C)OC(=O)C)C | |
| TCMBANKIN016438 | 4-hydroxy-2-oxo-1,2,3,4-terahydroquinoline-4-carboxylic acid | ||||
| TCMBANKIN016541 | Δ1-tetrahydrocannabinolicacid a | ||||
| TCMBANKIN016599 | Wilsonine | wilsonine | C20H25NO4 | 343.4 g/mol | COC1CC23C4=CC(=C(C=C4CCCN2CC5C3(O5)C=C1)OC)OC |
| TCMBANKIN018263 | cannabichromenic acid | cannabichromenate; CBCA; HRHJHXJQMNWQTF-UHFFFAOYSA-M; cannabichromenicacid; 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromene-6-carboxylic acid | C22H29O4- | 357.5 g/mol | CCCCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)O)[O-] |
| TCMBANKIN018309 | Canin | 4H-Bisoxireno(1,8a:2,3)azuleno(4,5-b)furan-2(3H)-one, octahydro-6-hydroxy-6,8a-dimethyl-3-methylene-; C09354; CHEMBL271164; Octahydro-6-hydroxy-6,8a-dimethyl-3-methylene-4H-bisoxireno(1,8a:2,3)azuleno(4,5-b)furan-2(3H)-one (3aS-(3aalpha,6alpha,6aS*,7abeta,7bbeta,8abeta,8balpha,8cbeta))-; AC1L9CDT; 4H-Bisoxireno(1,8a:2,3)azuleno(4,5-b)furan-2(3H)-one, octahydro-6-hydroxy-6,8a-dimethyl-3-methylene-, (3aS-(3aalpha,6alpha,6aS*,7abeta,7bbeta,8abeta,8balpha,8cbeta))-; canin; CHEBI:3356; 24959-84-0 | C15H18O5 | 278.3 | CC1(CCC2C(C3C14C(O4)C5C3(O5)C)OC(=O)C2=C)O |
| TCMBANKIN018746 | WLN: QR CG | m-Chlorophenic acid; ZINC00404329; C14270; HSDB 1413; CHEBI:38855; InChI=1/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8; CCRIS 641; 3CH; 108-43-0; NSC59700; 25840_FLUKA; 36747_RIEDEL; m-Chlorophenol, liquid [UN2021] [Keep away from food]; Phenol, m-chloro-; EINECS 203-582-6; 3-Chlorophenol; 3-Hydroxychlorobenzene; NSC 59700; C62808_ALDRICH; AI3-23961; m-Chlorophenol; NCGC00091698-01; 3-Chloro-1-hydroxybenzene; m-Chlorophenol, solid [UN2020] [Keep away from food]; Phenol, 3-chloro- | C6H5ClO | 128.56 | C1=CC(=CC(=C1)Cl)O |
| TCMBANKIN018881 | Triptinin B | triptinin b | C20H26O3 | 314.4 g/mol | CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)C)C)C(=O)O |
| TCMBANKIN019355 | Celabenzine | AC1NB02H; celabenzine; 9-benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one | C23H29N3O2 | 379.5 | C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| TCMBANKIN020000 | 1β-nicotinoyl-2β,5α,7β-triacetoxy-4α-hydroxy-11-isobutyryloxy-8α-furanoyl-dihydroagaro-furan | CC(C)C(=O)OCC12C(C(CC(C13C(C(C(C2OC(=O)C4=COC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C5=CN=CC=C5 | |||
| TCMBANKIN020244 | (+)-Medioresinol di-O-beta-D-glucopyranoside | (+)-medioresinol di-o-beta-d-glucopyranoside; (2S,3R,4S,5S,6R)-2-[4-[6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; AC1NSXWS; (+)-medioresinol di-o-β-d-glucopyranoside | 712.77 | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)OC | |
| TCMBANKIN020956 | cannabinolic acid | Cannabinolic acid; CTK1A7709; DTXSID60182356; CHEMBL464869; 6H-Dibenzo(b,d)pyran-2-carboxylic acid, 1-hydroxy-6,6,9-trimethyl-3-pentyl-; CBNA; 2808-39-1; cannabinolic acid A; AC1MIXY1; 6H-Dibenzo[b,d]pyran-2-carboxylicacid, 1-hydroxy-6,6,9-trimethyl-3-pentyl-; SCHEMBL13120592; cannabinolicacid; 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid | C22H26O4 | 354.4 g/mol | CCCCCC1=CC2=C(C3=C(C=CC(=C3)C)C(O2)(C)C)C(=C1C(=O)O)O |
| TCMBANKIN021340 | nobilin | BDBM50433432; CHEMBL2380798; C09518; Nobilin; CHEBI:7603; 31824-11-0 | C20H26O5 | 346.4 g/mol | CC=C(C)C(=O)OC1CC(=CCC(C(=CC2C1C(=C)C(=O)O2)C)O)C |
| TCMBANKIN021464 | regelin d | methyl (2S,4aR,6bR,12aR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate; AC1NSZZZ | C31H48O4 | 484.7 g/mol | CC1(C2CCC3(C(C2(CCC1=O)C)CC=C4C3(CCC5(C4CC(CC5O)(C)C(=O)OC)C)C)C)C |
| TCMBANKIN021936 | wilfordconine | CC1C2=C(C=NC=C2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC(=O)C1(C)O)O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C6=COC=C6)C | |||
| TCMBANKIN022775 | musclide a1 | AC1NSYW8; (6-hydroxy-2-methylheptan-3-yl) hydrogen sulfate | CC(C)C(CCC(C)O)OS(=O)(=O)O | ||
| TCMBANKIN023300 | 2,5-dioxo-4-imidazolidinyl-carbmino acid | ||||
| TCMBANKIN023650 | 1β,2β,5α,11-tetraacetoxy-8α-benzoyl-4α-hydrox-y-7β-nicotinoyl-dihydroagarofuran | 1beta,2beta,5alpha,11-tetraacetoxy-8alpha-benzoyl-4alpha-hydroxy-7beta-nicotinoyl-dihydroagarofuran | |||
| TCMBANKIN023705 | 1,8-DIMETHYLNAPHTHALENE | 45786_RIEDEL; 569-41-5; EINECS 209-314-4; C14703; 282537_ALDRICH; Naphthalene, 1,8-dimethyl-; InChI=1/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H | C12H12 | 156.22 | CC1=C2C(=CC=CC2=CC=C1)C |
| TCMBANKIN023867 | 2-(ethanolamino)juglone | ||||
| TCMBANKIN024521 | triptofordin a | CC1(C2CC(C3(C(CCC(C3(C2)O1)(C)O)OC(=O)C4=CC=CC=C4)C)OC(=O)C=CC5=CC=CC=C5)C | |||
| TCMBANKIN025232 | Wilformine | wilformine | C38H47NO18 | 805.8 g/mol | CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C |
| TCMBANKIN025358 | benzoic acid | Benzoic acid, 2-[(carboxymethyl)amino]-4-chloro-; 2-[(carboxymethyl)amino]-4-chlorobenzoic acid; DTXSID70455462; BG00311790; AC-17987; AX8062950; 2-carboxymethylamino-4-chlorobenzoic acid; KB-223858; AK140629; 99282-79-8; benzoicacid; CTK5I0315; 2-(Carboxymethyl-amino)-4-chloro-; AKOS015963713; SCHEMBL3236365; 2-(carboxymethylamino)-4-chlorobenzoic acid; benzoic acid ; 2-(CARBOXYMETHYL-AMINO)-4-CHLORO-BENZOIC ACID; AJ-79604; 2-((Carboxymethyl)amino)-4-chlorobenzoic acid; UDXGKLGUAJLLCJ-UHFFFAOYSA-N; ZINC21988796 | C7H6O2 | 122.12 | C1=CC(=C(C=C1Cl)NCC(=O)O)C(=O)O |
| TCMBANKIN025798 | Triptofordin D1 | triptofordin d1 | 606.72 | CC(=O)OCC12C(CCC(C13C(C(C(=O)C2OC4=CC=CC=C4)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C=CC5=CC=CC=C5 | |
| TCMBANKIN026359 | 3,24-dioxo-friedelan-29-oicacid | C30H46O4 | |||
| TCMBANKIN026606 | (2S)-7-amyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol | (2S)-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-5-chromenol; (2S)-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol; (2S)-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromen-5-ol | C21H30O2 | 314.46 | |
| TCMBANKIN027154 | dipterocarpol hydroxy-dammarenone ii | ||||
| TCMBANKIN027477 | Celafurine | celafurine; AC1NSTG7; 9-(furan-3-carbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one | C21H27N3O3 | 369.5 g/mol | C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C3=COC=C3 |
| TCMBANKIN029116 | 4α-hydroxy-1β,2β,5α-triacetoxy-7β,11-diiso-butyryloxy-8α-furanoyl-dihydroagarofuran | C34H46O15 | |||
| TCMBANKIN029325 | Wilfordside | wilfordside | 883.93 | CC1C2=C(C=NC=C2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC(=O)C1(C)O)OC(=O)C6=CC=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C | |
| TCMBANKIN030112 | Triptonoterpene | AC1NT19C; triptonoterpene; 8-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one | C20H28O2 | 300.4 g/mol | CC(C)C1=C(C2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C)C)O |
| TCMBANKIN030492 | isoneotriptophenolide | AC1NSX36; ACMC-20dhnb; Phenanthro[1,2-c]furan-1(3H)-one,3b,4,5,9b,10,11-hexahydro-8-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-,(3bR,9bS)- (9CI); 8-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one | C21H26O4 | 342.4 g/mol | CC(C)C1=C(C=C2C(=C1OC)CCC3C2(CCC4=C3COC4=O)C)O |
| TCMBANKIN030603 | Wilfordic acid | AC1NSSX1; 2-(4-hydroxy-2-methyl-4-oxobutyl)pyridine-3-carboxylic acid; wilfordic acid; wilfordicacid | 223.25 | CC(CC1=C(C=CC=N1)C(=O)O)CC(=O)O | |
| TCMBANKIN030651 | neowilforine | C43H49NO17 | 849.96 | CC1CCC2=C(C=CC=N2)C(=O)OCC3(CC45C(C(C(C(C4(C(C(C3C5OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C6=CC=CC=C6)OC1=O)C)C | |
| TCMBANKIN030797 | Dunnisinin | dunnisinin | C11H14O5 | 226.23 g/mol | COC(=O)C1COC2C3C1C=CC3(CO2)O |
| TCMBANKIN030809 | Triptofordin F4 | triptofordin f4 | 652.75 | CC(=O)OCC12C(C(CC(C13C(C(C(C2OC(=O)C4=CC=CC=C4)O)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C=CC5=CC=CC=C5 | |
| TCMBANKIN030937 | wilforgine | CHEMBL503640 | C41H47NO19 | 857.8 g/mol | CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C |
| TCMBANKIN031065 | 1β,2β,3α,5α,7β,8β,11-heptaacetoxy-dihydro-agarofuran | C29H40O15 | CC1C(C(C(C2(C13C(C(C(C2OC(=O)C)OC(=O)C)C(O3)(C)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C | ||
| TCMBANKIN032324 | delta2-tetrahydrocannabinolic acid | CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1C(=O)O)(C)C)C)O | |||
| TCMBANKIN033508 | Triptofordin F1 | triptofordin f1 | 694.79 | CC(=O)OCC12C(C(CC(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C=CC5=CC=CC=C5 | |
| TCMBANKIN035921 | Triptodihydroxy acid methyl ester | methyl 10-hydroxy-2-(hydroxymethyl)-4a,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate; AC1NT191; triptodihydroxy acid methyl ester | C31H50O4 | 486.81 | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(CO)C(=O)OC)C)C)C)C |
| TCMBANKIN035934 | Triptonoditerpenic acid | 2-Phenanthrenecarboxylic acid, 3,4,4a,9,10,10a-hexahydro-8-hydroxy-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-; AC1L30OA; 8-HYDROXY-7-ISOPROPYL-6-METHOXY-1,4A-DIMETHYL-4,9,10,10A-TETRAHYDRO-3H-PHENANTHRENE-2-CARBOXYLIC ACID; triptonoditerpenicacid; 8-hydroxy-6-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid; 139953-20-1; triptonoditerpenic acid | C21H28O4 | 344.44 | CC1=C(CCC2(C1CCC3=C(C(=C(C=C32)OC)C(C)C)O)C)C(=O)O |
| TCMBANKIN036806 | cannabinol | 521-35-7; NINDS_000972; Cannabinolum [INN-Latin]; Tox21_113486; 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran; NCGC00168261-01; Cannabinol [BAN:INN]; Cannabinol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol; DSSTox_RID_83188; CAS-521-35-7; CHEBI:3360; Cannabinol [INN:BAN]; cannabinol; Cannabinolum; C07580; Cannabinol (6CI); Cannabinol, analytical standard; Cannabinol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis; 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl- (7CI,8CI,9CI); D0U5LL; CHEMBL74415; KBio1_000972; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol. Product derived from Cannabis sativa; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol #; 6H-Dibenzo[b, 6,6,9-trimethyl-3-pentyl-; HMS503C05; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol; 5-17-04-00567 (Beilstein Handbook Reference); IDI1_000972; Cannabinol solution; ZINC1530833; C6520_SIGMA; DSSTox_CID_28922; C6888_SIGMA; NSC 134455; WLN: T B666 HO IHJ CQ E5 I1 I1 M1; DivK1c_000972; DTXSID3048996; Cannabinolo [DCIT]; AC1L1DWZ; L000158; UNII-7UYP6MC9GH; Cannabinolo; 7UYP6MC9GH; 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl-; VBGLYOIFKLUMQG-UHFFFAOYSA-N; LMPK13120002; 3-amyl-6,6,9-trimethyl-benzo[c]chromen-1-ol; BRN 0237145; NSC-134455; GTPL740; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol(Cannabinol); FT-0664223; 6,6,9-trimethyl-3-pentyl-1-benzo[c]chromenol; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol (Cannabinol); SCHEMBL121085; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol; Cannabinol 1.0 mg/ml in Methanol; DSSTox_GSID_48996; 6,6,9-trimethyl-3-pentyl-benzo[c]chromen-1-ol; 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol; NSC134455; 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo(b,d)pyran; BDBM50061117; AKOS024457448; 6H-Dibenzo(b,d)pyran-1-ol, 6,6,9-trimethyl-3-pentyl-; LMPK02000025; LS-61184; 3-Amyl-1-hydroxy-6,9-trimethyl-6H-dibenzo[b,d]pyran; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol | C21H26O2 | 310.43 | c1([H])c(C([H])([H])[H])c([H])c(c(c(O[H])c([H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c2[H])c2OC3(C([H])([H])[H])C([H])([H])[H])c3c1[H] |
| TCMBANKIN036807 | cannabidiolic acid | cannabidiolicacid; 2,4-dihydroxy-3-[(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate; CBDA | C22H30O4 | 358.471 | C1(C([H])([H])[H])=C([H])[C@@]([H])(c2c(O[H])c(C(=O)O[H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c2O[H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN036818 | Asiatic acid | NSC 166063; asiaticacid; Urs-12en-28-oic acid, 2,3,23-trihydroxy-, (2alpha, 3beta, 4alpha)-; Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4alpha)-; (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; 464-92-6; C08617; Asiatic acid; Ambotz464-92-6; (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | 488.7 | ||
| TCMBANKIN036830 | triptonide | Triptolide, 14-deoxy-14-oxo-; AC-20331; 38647-11-9; KBio1_001608; Spectrum_001724; AKOS025401513; KBioSS_002204; BC216334; NSC165677; NCI60_001273; DivK1c_006664; Triptonide; KBio2_004772; SPBio_000614; Spectrum2_000477; KBio2_007340; Spectrum5_001806; ZINC100038923; SpecPlus_000568; KBio2_002204 | C20H22O6 | 358.385 | C12=C(C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]1([H])C([H])([H])[C@@]([H])(O4)[C@]45[C@]36[C@]([H])(O6)[C@]7([H])[C@@](C([H])(C([H])([H])[H])C([H])([H])[H])(O7)C5=O)C(=O)OC2([H])[H] |
| TCMBANKIN036837 | vitexin | 49513_FLUKA; vitexin ; vitexin-7-olate anion; Flavone, 8-D-glucosyl-4',5,7-trihydroxy-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; vitexin-7-olate; vitex-in; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 8-beta-D-Glucopyranosyl-apigenin; 521-33-5; CHEBI:16954; 8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Vitexin; vitexin-7-olate(1-); 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; Apigenin 8-C-glucoside; 8C-hexosyl apigenin; (1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol; CHEBI:57963; (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-beta-D-glucopyranosyl-2-(4-hydroxyphenyl)-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-.beta.-D- glucopyranosyl-2-(4-hydroxyphenyl)-; 8-C-beta-glucopyranosylapigenin; 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-; NCGC00163642-01; C01460; EINECS 222-963-8; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; vitexin anion; 3681-93-4; AIDS026705; AIDS-026705 | C21H20O10 | 432.378 | c1([H])c(C2=C([H])C(c3c(c([C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])c(O[H])c([H])c3O[H])O2)=O)c([H])c([H])c(O[H])c1[H] |
| TCMBANKIN036848 | triptolide | PG 490; CT0223; Bio2_000315; AKOS015895128; KBio2_005451; BSPBio_001595; NCGC00163411-02; Triptolide; BCPP000033; Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-; KBio3_000629; N1733; CHEBI:94966; SCHEMBL10028421; Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-; AC-6084; IDI1_034065; NCGC00163411-01; NSC163062; KBio2_002883; NSC 163062; Bio2_000795; Triptolid; HY-32735; BRD-A13122391-001-01-9; SMR000466307; MLS000759410; Triptolide (9CI); C09204; Triptolide, <i>Tripterygium wilfordii; PG-490; ST51052768; KBio2_000315; Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-; CS-0286; KBio3_000630; Triptolide, from Tripterygium wilfordii, >=98% (HPLC), solid; 38748-32-2; PG490; SMP1_000110; KBioGR_000315; TPL; NCI60_001223; KBioSS_000315 | C20H24O6 | 360.4 | CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C |
| TCMBANKIN036890 | Parthenolide | 20554-84-1; Prestwick_876 | 248.32 g/mol | ||
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN036917 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN037001 | alpha-Guaiene | (1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene; alpha-guaiene; α-guaiene; (1S,4S,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene | C15H24 | 204.35 g/mol | CC1CCC(CC2=C1CCC2C)C(=C)C |
| TCMBANKIN037800 | orthosphenic acid | orthosphenicacid | C30H48O5 | 489 | [C@]1([H])(O[H])C([H])([H])[C@@]([H])([C@](C([H])([H])[H])(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])[C@@]4([H])C([H])([H])C5([H])[H])[C@@]5(C([H])([H])O6)[C@@]([H])(C([H])([H])[H])[C@]16O[H] |
| TCMBANKIN037815 | triptriolide | C20H26O7 | 378.4 g/mol | CC(C)C1(C(C2C3(O2)C4(CCC5=C(C4CC6C3(C1O)O6)COC5=O)C)O)O | |
| TCMBANKIN038021 | 5α-cholest-3β,6α,7α,8β,15α,16β,26-sevol | C27H48O7 | CC(CCCC(C)C1C(C(C2C1(CCC3C2(C(C(C4C3(CCC(C4)O)C)O)O)O)C)O)O)CO | ||
| TCMBANKIN038168 | wilfordine | C43H49NO19 | 884 | [C@@]1([H])(OC(C([H])([H])[H])=O)[C@@]([H])(OC(C([H])([H])[H])=O)[C@@]2(C([H])([H])OC(C([H])([H])[H])=O)[C@@](O[C@@]3(C([H])([H])[H])C([H])([H])OC(c4c(nc([H])c([H])c4[H])C([H])([H])C([H])([H])[C@@](O[ H])(C([H])([H])[H])C(=O)O5)=O)([C@](O[H])(C([H])([H])[H])[C@]5([H])[C@]([H])(OC(=O)c(c([H])c([H])c6[H])c([H])c6[H])[C@]2([H])OC(C([H])([H])[H])=O)[C@]([H])(OC(C([H])([H])[H])=O)[C@@]13[H] | |
| TCMBANKIN038275 | (+)-medioresinol | (+)-Medioresinol di-O-beta-D-glucopyranoside_qt | C21H24O7 | 388.41 | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
| TCMBANKIN038530 | wilforine | CHEMBL503312; Wilforine; wilforgine | C43H49NO18 | 867.85 | CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=CC=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C |
| TCMBANKIN038555 | Triptonoterpene methyl ether | AC1NT19F; triptonoterpene methyl ether; 5-hydroxy-8-methoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one | C21H30O3 | 330.5 g/mol | CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)C)C)O |
| TCMBANKIN038921 | abruslactone A | CHEMBL484855; Abruslactone A | C31H48O2 | 453 | 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(=O)C2([H])[H])(C([H])([H])[H])C([H])([H])[C@]23[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H]) [C@@]45C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN039510 | tripchlorolide | Triptolide 12,13-chlorhydrin; Triptolide chlorhydrin; Bisoxireno(4b,5:8a,9)phenanthro(1,2-c)furan-4(2H)-one, 11-chloro-1b,3,6,6b,7,7a,9,10,11,11a-decahydro-9,10-dihydroxy-1b-methyl-10-(1-methylethyl)-, (1aS,1bS,6bR,7aS,8aS,9R,10R,11R,11aR)-; tripchlorolide; 132368-08-2 | C21H29ClO6 | 413 | [C@@]12([C@@]([H])(O1)C([H])([H])[C@@]([H])(C(C([H])([H])OC3=O)=C3C([H])([H])C4([H])[H])[C@]45C([H])([H])[H])[C@@]5(O[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(Cl)[C@@](O[H])(C([H])(C([H])([H])[H])C([H] )([H])[H])[C@@]2([H])O[H] |
| TCMBANKIN039722 | orientin | 28608-75-5; Orientin; CHEBI:7781; luteolin-8-C-beta-D-glucopyranoside; Lutexin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; AIDS026706; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; Luteolin 8-C-glucoside; 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 8-beta-D-glucosylluteolin; 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; C10114; LMPK12110470; AIDS-026706; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-.beta.-D-glucopyranosyl-5,7-dihydroxy-; Orientin (Flavone); Luteolin 8-C-beta-D-glucopyranoside; Luteolin 8-glucoside; 8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone | C21H20O11 | 448.38 | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O |
| TCMBANKIN040286 | 11-Hydroxy-14,15alpha-epoxytabersonine | 11-hydroxy-14,15alpha-epoxytabersonine; 11-hydroxy-14,15α-epoxytabersonine | C21H24N2O4 | 368.47 | CCC12CC(=C3C4(C1N(CC4)CC5C2O5)C6=C(N3)C=C(C=C6)O)C(=O)OC |
| TCMBANKIN040736 | 5alpha-Lanosta-7,9(11),24-triene-15alpha,26-dihydroxy-3-one | C30H46O3 | 455 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(=C([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])O[H])\C([H])([H])[H])C([H])([H])[C@ ]2([H])O[H])[C@@]23C([H])([H])[H])C3=C([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C1=O | |
| TCMBANKIN040738 | Triptofordin E | ||||
| TCMBANKIN040923 | Triptotin A | 358.4 g/mol | |||
| TCMBANKIN041186 | 17-Hydroxytriptonide | ||||
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041660 | Tingenone | (6aR,6bR,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione; CHEBI:9602; C08638; (6aR,6bR,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-quinone; tingenone; ZINC4097726; AC1L9BH1; 50802-21-6 | C28H36O3 | 420.58 | CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(CC1=O)C |
| TCMBANKIN041979 | WILFORNINE A | CHEMBL502989; ZINC169291710; wilfornine a | C45H51NO20 | 925.9 g/mol | CC(=O)OCC12C(C(C3C(C14C(C(C(C2OC(=O)C)OC(=O)C)OC(=O)C(CCC5=C(C=CC=N5)C(=O)OCC3(O4)C)(C)OC(=O)C6=CC=CC=C6)(C)O)OC(=O)C)OC(=O)C)OC(=O)C |
| TCMBANKIN042027 | 16-hydroxytriptolide | SCHEMBL14097792 | C20H24O7 | 376.4 g/mol | CC(CO)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C |
| TCMBANKIN042156 | Tripteroside | Norathyriol-6-O-beta-D-glucoside; 2,6,8-trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside; AC1NQYUG; tripteroside; DTXSID60415171; 1,3,7-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-xanthone; CHEBI:9746; 1,3,7-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-xanthen-9-one; 1,3,7-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one; 1,3,7-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9-xanthenone; C10095; 1,3,7-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one; 82855-00-3 | 422.34 | ||
| TCMBANKIN042204 | triptotin | triptotin | C30H48O4 | 473 | [C@@]12([H])[C@@]3([C@@]([H])(O3)C([H])([H])[C@@]([H])([C@@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C(O[H])=O)C4([H])[H])[C@]45[H])[C@@ ]5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@]16C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C2([H])[H] |
| TCMBANKIN042507 | 1beta,5alpha,11-Triacetoxy-7beta-benzoyl-4alpha-hydroxy-8beta-nicotinoyl-dihydroagarofuran | 1beta,5alpha,11-triacetoxy-7beta-benzoyl-4alpha-hydroxy-8beta-nicotinoyl-dihydroagarofuran; 1β,5α,11-triacetoxy-7β-benzoyl-4α-hydroxy-8β-nicotinoyl-dihydroagarofuran | 653.74 | CC(=O)OCC12C(CCC(C13C(C(C(C2OC(=O)C4=CN=CC=C4)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C | |
| TCMBANKIN042858 | Luteolin | Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone | C15H10O6 | 286.236 | c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
| TCMBANKIN043101 | Tripdiolide | AKOS025402191; tripdiolide; AC-6083 | C20H24O7 | 376.4 | CC(C)C12C(O1)C3C4(O3)C5(CC(C6=C(C5CC7C4(C2O)O7)COC6=O)O)C |
| TCMBANKIN044222 | Wilfornine C | wilfornine c; CHEMBL509162 | 987.9 g/mol | ||
| TCMBANKIN044272 | Wilfordlongine | ||||
| TCMBANKIN044460 | triptotin b | C19H24O6 | 348.4 g/mol | CC(C)C1=CC2(C3=C(C1=O)CCC4C3(C(CC(=O)C4CO)OO2)C)O | |
| TCMBANKIN044575 | Atrochrysone | 274.27 g/mol | |||
| TCMBANKIN044933 | Celaxanthin | celaxanthin | 550.86 | ||
| TCMBANKIN045236 | fetidine | Fetidine; SCHEMBL2989372; SureCN2989372; C09441; CHEBI:5049; (6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxy-phenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol; DTXSID10331776; 7072-86-8; AC1L9CGQ | C40H46N2O8 | 682.8 g/mol | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)CC6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC |
| TCMBANKIN045404 | salaspermic acid | salaspermicacid | C30H48O4 | 473 | C1([H])([H])C([H])([H])[C@@]([H])([C@](C([H])([H])[H])(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])[C@]4([H])C([H])([H])C5([H])[H])[C@@]5(C([H])([H])O6)[C@@]([H])(C([H])([H])[H])[C@]16O[H] |
| TCMBANKIN045574 | Wilfornine B | CHEMBL525210; wilfornine b | 883.8 g/mol | ||
| TCMBANKIN045616 | Salazinic acid | ZINC18028709; salazinic acid | C18H12O10 | 388.3 g/mol | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)OC4O)C=O)O |
| TCMBANKIN045632 | wilforcidine | CC1(C2CC(C3(C(CCC(C3(C2OC(=O)C4=CN=CC=C4)O1)(C)O)OC(=O)C5=CN=CC=C5)C)OC(=O)C=CC6=CC=CC=C6)C | |||
| TCMBANKIN045835 | 16-Hydroxytriptonide | ||||
| TCMBANKIN046023 | 7alpha,21S,25-Trihydroxy-3beta-acetoxy-21S,23R-epoxy-9(11)-en-dammarane | [(3S,8S,10S)-7-hydroxy-17-[(2S,5R)-2-hydroxy-5-(2-hydroxy-2-methylpropyl)oxolan-3-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; AC1NT14F; 7α,21s,25-trihydroxy-3β-acetoxy-21s,23r-epoxy-9(11)-en-dammarane; 7alpha,21s,25-trihydroxy-3beta-acetoxy-21s,23r-epoxy-9(11)-en-dammarane | C32H52O6 | 532.84 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(=C([H])C([H])([H])[C@]([H])([C@@]([H])([C@]2([H])[C@@]([H])(O[H])O[C@@]([H])(C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])C3([H] )[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])[C@]([H])(O[H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])OC(=O)C([H])([H])[H] |
| TCMBANKIN046192 | 13,14-Epoxide 9,11,12-trihydroxytriptolide | ||||
| TCMBANKIN046217 | euonymine | Euonymine; 150881-01-9; CHEMBL503447 | C38H47NO18 | 805.8 g/mol | CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C |
| TCMBANKIN046242 | neoxanthin | (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol; C08606; all-trans-Neoxanthin; LMPR01070278; 14660-91-4; CHEBI:32446; Neoxanthin; (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol; (3S,5R,6R,3'S,5'R,6'S)-6,7-didehydro-5',6'-epoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,3'-triol; (3S,3'S,5R,5'R,6S,6'R,9Z,15Z)-5,6-Epoxy-6',7'-didehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3',5'-triol | C40H56O4 | 600.87 | CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C |
| TCMBANKIN046467 | Triptocalline A | 201534-10-3; D02DYB; Triptocalline A; TriptocallineA; ZINC40378969 | 442.6 g/mol | ||
| TCMBANKIN046768 | wilforlide B | Wilforlide B; wilforlide b | C30H44O3 | 453 | 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(=O)O2)(C([H])([H])[H])C([H])([H])[C@]23[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@]45C([ H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H])[H])C1=O |
| TCMBANKIN046851 | wilfortrine | C41H47NO20 | 874 | [C@@]1([H])(OC(C([H])([H])[H])=O)[C@@]([H])(OC(C([H])([H])[H])=O)[C@@]2(C([H])([H])OC(C([H])([H])[H])=O)[C@@](O[C@@]3(C([H])([H])[H])C([H])([H])OC(c4c(nc([H])c([H])c4[H])C([H])([H])C([H])([H])[C@@](O[ H])(C([H])([H])[H])C(=O)O5)=O)([C@](O[H])(C([H])([H])[H])[C@]5([H])[C@]([H])(OC(=O)c6c([H])c([H])c([H])o6)[C@]2([H])OC(C([H])([H])[H])=O)[C@]([H])(OC(C([H])([H])[H])=O)[C@@]13[H] | |
| TCMBANKIN047812 | Triptobenzene H | 344.4 g/mol | |||
| TCMBANKIN049192 | Triptotetraolide | ||||
| TCMBANKIN049985 | cangoronine | CHEMBL1651341 | C30H44O5 | 484.7 g/mol | CC1=C(C(=O)CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)C=O)O |
| TCMBANKIN050123 | Wilforidine | 779.7 g/mol | |||
| TCMBANKIN050160 | Ursan-3β,5α-diol | ||||
| TCMBANKIN050277 | Triptotin C | ||||
| 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 |
| TCMBANKIN058004 | trigonelline | Prestwick_70; N-Methylnicotinic acid betaine hydrochloride; 1-methyl-3-pyridin-1-iumcarboxylate hydrochloride; MFCD00077250; SCHEMBL468365; A833196; trigonelline ; trigonelline HCl; 1-methylpyridin-1-ium-3-carboxylate hydrochloride; AC1O4WFS; 1-Methylpyridinium-3-carboxylate hydrochloride; T-6500; CHEMBL489961; trigonellin; gynesine; trigonelline | C7H7NO2 | 137.14 g/mol | C[N+]1=CC=CC(=C1)C(=O)[O-] |
| TCMBANKIN058221 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN058284 | 5α,6β,7α,8β-tetrahydroxy-2-[2-(2'-hydroxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone | 5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(2'-methoxy-phenyl) ethyl]-5,6,7,8-tetrahydrochromone(ah2b);5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(2'-hydroxy phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah23);5α,6β,7β,8α-tetrahydroxy-2-[2-(2'-hydroxyphenyl)ethyl]-5,6,7,8-tetrahydrochromone | C17H18O7 | C1=CC=C(C(=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O)O | |
| TCMBANKIN058314 | benzaldehyde | SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal | C7H6O | 106.12 | C1=CC=C(C=C1)C=O |
| TCMBANKIN058334 | benzene acetaldehyde | benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin | C8H8O | 120.15 g/mol | C1=CC=C(C=C1)CC=O |
| TCMBANKIN058414 | 1,8-dihydroxy-4-hydroxymethyl anthraquinone | C15H10O5 | 270.24 g/mol | C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)CO)O | |
| TCMBANKIN058457 | 6-oxo purine | hypoxanthine;HX;9H-Purin-6-ol disodium salt; 6(1H)-Purinone disodium salt; Purin-6(3H)-one disodium salt; 6-Hydroxypurine disodium salt; 1,7-Dihydro-6H-purin-6-one disodium salt; Hypoxanthine disodium salt;AIDS045522; Spectrum3_001352; NCGC00095622-01; C00262; Spectrum5_000564; Imidazo[5,4-d]pyrimidine, 6-hydroxy-; ST5298920; Sarcine; InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10; CHEBI:17368; Hypoxanthine-8-14C; KBio2_001897; PDSP1_000299; 39464-17-0; 3,7-dihydropurin-6-one; Hypoxanthine enol; 6-Oxopurine; Purin-6-ol; Purin-6(3H)-one; DivK1c_006557; HPA; Hypoxanthine (VAN) (8CI); 9H-Purin-6-ol; 68-94-0; 3H-Purin-6-ol; SDCCGMLS-0065594.P002; KBioSS_001897; SPECTRUM310023; Sarkine; KBio3_002383; Purine-6-ol; ST5298925; 25991-07-5; Spectrum_001417; 9H-Purin-6-ol (VAN); SBB004203; Purin-6(1H)-one; BSPBio_003163; KBio1_001501; SpecPlus_000461; KBio2_004465; ZINC05177813; 25991-09-7; Spectrum2_001907; 480-99-9; AI3-52242; H9636_SIGMA; 9H-Purin-6(1H)-one; AIDS-045522; KBio2_007033; 39464-15-8; 6-Hydroxy-1H-purine; 1,9-Dihydro-purin-6-one; 6(1H)-Purinone; Sarkin; ZINC00155652; 184856-40-4; NSC14665; SDCCGMLS-0065594.P001; TULIP028890; Spectrum4_001742; AG-670/31547063; H9377_SIGMA; PDSP2_000297; 1,7-Dihydro-6H-purin-6-one; 6535-89-3; Purine analog; HYPOXANTHINE; 6-Hydroxypurine; 25991-08-6; EINECS 200-697-3; KBioGR_002184; NSC 14665; H0394_SIGMA; 6H-Purin-6-one, 1,7-dihydro-; SPBio_001874 | C5H4N4O | 136.11 g/mol | C1=NC2=C(N1)C(=O)NC=N2 |
| TCMBANKIN058503 | gambiriin a 1 | gambiriin A-1 | C30H28O12 | 580.5 g/mol | C1C(C(OC2=C1C(=CC(=C2C(C3=CC(=C(C=C3)O)O)C(CC4=C(C=C(C=C4O)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O |
| TCMBANKIN058624 | Celallocinnine | CHEBI:132186; celallocinnine; (2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one; AC1O56EB; Celacinnine; (2S)-2-phenyl-9-[(2E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one; 1,5,9-Triazacyclotridecan-4-one, 9-(1-oxo-3-phenyl-2-propenyl)-2-phenyl-, (S-(E))-; (-)-celacinnine; 53938-05-9; (S)-(-)-celacinnine | C25H31N3O2 | 405.5 g/mol | C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3 |
| TCMBANKIN058643 | Coumaran | 2,3-dihydro-1-benzofuran; 37281_FLUKA; 2,3-DIHYDROBENZOFURAN; EINECS 207-817-3; Benzofuran, 2,3-dihydro-; 496-16-2; InChI=1/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H; SB 01482; 183962_ALDRICH,Kumaran | C8H8O | 120.15 g/mol | C1COC2=CC=CC=C21 |
| TCMBANKIN058901 | zeatin | (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol; NCGC00142544-01; Zeatin; Z0876_SIGMA; Z1626_SIGMA; 2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol; CHEBI:16522; TNP00322; BRN 0616241; trans-Zeatin-8-14C; N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine; Zeatine; trans-Zeatin hydrochloride; (E)-2-methyl-4-(purin-6-ylamino)-2-buten-1-ol; C00371; SMR000471895; 96088_FLUKA; 2-buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-, (2E)-; ST057583; 1637-39-4; Z0164_SIGMA; Z2753_SIGMA; NCGC00017372-01; (E)-2-methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol; 2-BUTEN-1-OL, 2-METHYL-4-(PURIN-6-YLAMINO)-, (E)-; MLS001074742; 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (E)-; CHEBI:15333; (E)-Zeatin; 6-[4-hydroxy-3-methyl-but-2-enylamino]adenine; 2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol; InChI=1/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2; (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol; trans-Zeatin; ZINC04492895; ZINC01532631; N6-(4-Hydroxyisopentenyl)adenine; 6-(4-Hydroxy-3-methylbut-2-enylamino)purine; (E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol; 2-methyl-4-(1H-purine-6-ylamino)-2-buten-1-ol; trans-zeatin | C10H13N5O | 219.24 g/mol | CC(=CCNC1=NC=NC2=C1NC=N2)CO |
| TCMBANKIN058923 | paeonol | CBiol_000986; 2′-Hydroxy-4′-methoxyacetophenone; KBio3_002432; SPBio_002161; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; paeonol ; H35803_ALDRICH; ST5331356; NCGC00095977-01; SPECTRUM1601021; AIDS-002237; AIDS002237; Resacetophenone-4-methyl ether; 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; Paeonol; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; 2-Acetyl-5-methoxy-phenol; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); NSC 401442; Paeonal; SDCCGMLS-0066845.P001; ZINC00001906; Resacetophenone, 4-O-methyl ester; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; 4-O-Methylresacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy-; 2-hydroxy-4-methoxyacetophenone; 2'-Hydroxy-4'-methoxyacetophenone; ICCB4_000282; BRN 1282794; EINECS 209-012-2; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; 2'-hydroxy-4'-methoxyacetophenone; NSC401442; KBio3_002432; Paeonol (Peonol); CHEMBL1079227; SPECTRUM1601021; AKOS000119646; RTC-067540; M-2917; UILPJVPSNHJFIK-UHFFFAOYSA-N; Resacetophenone-4-methyl ether; BBL012127; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; ST45027685; 1-(2-hydroxy-4-methoxyphenyl)ethane-1-one; UNII-3R834EPI82; Resacetophenone, 4-O-methyl ester; 4CN-0677; SR-05000002397-1; EINECS 209-012-2; FT-0618875; 2-acetyl-5-methoxyphenol; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; AC1Q48VO; TRA0005840; SY013508; MCULE-2846207321; Paeonolum; 1-(2-hydroxy-4-methoxyphenyl)-ethanone; AB0044007; MolPort-001-537-637; SCHEMBL1449478; CCG-39471; AN-1408; 2;-Hydroxy-4;-methoxyacetophenone; CP0063; KSC490C8B; HMS3656E07; C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; AC1Q48VN; ACN-027221; SDCCGMLS-0066845.P001; KB-146762; FT-0602529; MLS006011902; CHEBI:69581; SMR000112386; Acetophenone, 2'-hydroxy-4'-methoxy-; 2'-Hydroxy-4'-methoxyacetophenone; CTK3J0180; AM20040702; BB_SC-2796; CBiol_000986; BRD-K94239562-001-02-2; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; AS05193; Q-100626; 1-(2-Hydroxy-4-methoxyphenyl)ethanone #; HY-N0159; STK078097; I06-0541; MFCD00008730; NSC-401442; 3R834EPI82; KS-000004VU; PubChem3271; AK-79421; SR-05000002397; 1-(2-hydroxy-4-methoxy-phenyl)-ethanone; TC-067540; 4-Methoxy-2-hydroxyacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); LS-101156; AJ-08110; 552H410; Paeonal; NSC 401442; SC-05288; N1847; 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one; BDBM50310718; AS-15489; 4-O-Methylresacetophenone; NCGC00095977-02; ICCB4_000282; ACT07801; NSC401442; SPBio_002161; AC1L1WLK; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; 4-methoxy 2-hydroxy acetophenone; ACMC-209lls; s2339; ST24021015; NCGC00095977-01; PAEONOL; ANW-32270; 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3); 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); 2-Acetyl-5-methoxy-phenol; 1-acetyl-2-hydroxy-4-methoxybenzene; NCGC00095977-03; CJ-00070; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; DTXSID1022059; AC-7982; BRN 1282794; SBB066134; ZINC1906; ACN-S003528; 4'-Methoxy-2'-hydroxyacetophenone; 1-(4-Methoxy-2-hydroxy-phenyl)-ethanone; RP02462; P565; 2'-Hydroxy-4'-methoxyacetophenone, 99%; ethanone,1-(2-hydroxy-4-methoxyphenyl)-; peonol; Ethanone,1-(2- Hydroxy- 4- methoxyphenyl); 1-(2-hydroxy-4-methoxyphenyl)-ethanone; paeonal | C9H10O3 | 166.17 g/mol | CC(=O)C1=C(C=C(C=C1)OC)O |
| TCMBANKIN058951 | 2-Pentanone,4-hydroxy-4-methyl- | Diacetone-alcool [French]; 4-Hydroxy-4-methyl-pentan-2-on; Q7WP157PTD; Diacetonalcohol [Dutch]; ST51047025; 4-Hydroxy-4-methylpentanone; 2-Methyl-2-pentanol-4-one; Diacetonalkohol(german); NCGC00249012-01; J-515493; J-004939; 4474AA; HSDB 1152; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; CJ-26683; WLN: QX1 & 1 & 1V1; AC1L1L91; Dimethyl acetonyl carbinol; CHEBI:55381; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; 123-42-2; NSC 9005; SCHEMBL28494; Tox21_201266; BG00599981; Pyranton A; 2-pentanone, 4-hydroxy-4-methyl; Acetonyldimethylcarbinol; CTK0H6771; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH); 4-Hydroxy-2-keto-4-methylpentane; AKOS005721167; SWXVUIWOUIDPGS-UHFFFAOYSA-N; Diacetonalcool; AJ-28761; FT-0624587; Diacetonalkohol; MolPort-001-779-725; CJ-05952; Diacetonalkohol [German]; 4-Methyl-4-hydroxy-2-pentanone; NCGC00258818-01; S14-1442; KS-00000WT8; RTR-003687; Diketone alcohol; F0001-0366; BRN 1740440; 4-Hydroxy-4-methyl pentan-2-one; CCRIS 6177; LS-681; SBB009084; Jsp001572; (CH3)2C(OH)CH2C(O)CH3; DSSTox_RID_77580; DSSTox_GSID_24917; 2-Pentanone, 4-hydroxy-4-methyl-; 4-Hydroxy-4-methylpentan-2-one; 4-methyl-4-oxidanyl-pentan-2-one; AC1Q1K47; 2-Hydroxy-2-methyl-4-pentanone; Pentanone, 4-hydroxy-4-methyl-; CAS-123-42-2; ANW-61448; AK-41308; MCULE-2623560163; TR-003687; NCGC00257419-01; Diacetone alcohol; Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; BB_NC-2286; AN-43481; 4-Hydroxy-4-methyl-2-pentanone, analytical standard; UN 1148; BBL027463; 4-01-00-04023 (Beilstein Handbook Reference); Tyranton; 4-Idrossi-4-metil-pentan-2-one; ZINC1648359; EINECS 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; 2-Methyl-3-pentanol-4-one; KSC176O7D; RL01069; NSC-9005; 171962-EP2281810A1; Tox21_303479; Pyraton; 4-Hydroxy-4-methyl-2-pentanone, 99%; Hydroxy-4-methyl-2-pentanone; ACMC-1BVXG; MFCD00004471; 4-hydroxy-4-methyl-pentan-2-one; UNII-Q7WP157PTD; Diacetone-alcool; CHEMBL3182048; 4-Hydroxy-4-methylpentanone-2; NSC9005; LMFA12000071; EPA Pesticide Chemical Code 033901; 4-Methyl-2-pentanon-4-ol; KB-39088; Diacetonealcool; Caswell No. 280; 4-hydroxy4-methyl-2-pentanone; STL146354; UN1148; Pyranton; A805073; EC 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; Diacetonyl alcohol; DTXSID6024917; Diacetonalcool [Italian]; AI3-00045; 4-HYDROXY-4-METHYL-2-PENTANONE; DSSTox_CID_4917; SC-80179; Diacetonalcohol; Diacetone-alcool [French]; 2-Pentanone, 4-hydroxy-4-methyl-; Acetonyldimethylcarbinol; ZINC01648359; 4-Hydroxy-4-methyl-pentan-2-on; 4-Hydroxy-4-methylpentan-2-one; H41544_ALDRICH; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 31450_FLUKA; 4-hydroxy-4-methyl-pentan-2-one; 2-Hydroxy-2-methyl-4-pentanone; 4-Hydroxy-2-keto-4-methylpentane; Diacetone-alcool; Diacetonalcohol [Dutch]; 4-Hydroxy-4-methylpentanone-2; 4-Hydroxy-4-methylpentanone; NSC9005; 2-Methyl-2-pentanol-4-one; EPA Pesticide Chemical Code 033901; 24220_RIEDEL; Diacetonalcool; Caswell No. 280; 4-Hydroxy-4-methyl-2-pentanone; UN1148; Diacetonalkohol; Pyranton; Diacetonalkohol [German]; HSDB 1152; Diacetone alcohol; Diacetonyl alcohol; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; WLN: QX1 & 1 & 1V1; Diacetonalcool [Italian]; Dimethyl acetonyl carbinol; AI3-00045; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; Diketone alcohol; 4-01-00-04023 (Beilstein Handbook Reference); Diacetone alcohol [UN1148] [Flammable liquid]; 4-Idrossi-4-metil-pentan-2-one; EINECS 204-626-7; 123-42-2; 4-Hydroxy-4-methyl pentan-2-one; BRN 1740440; CCRIS 6177; NSC 9005; SBB009084; Diacetonalcohol; Pyranton A; Tyranton; 4-hydroxy-4-methyl-2-pentanone | C6H12O2 | 116.16 g/mol | CC(=O)CC(C)(C)O |
| TCMBANKIN059044 | Wilfotrine | wilfotrine | C41H47NO20 | 873.89 | CC(=O)OCC12C(C(C3C(C14C(C(C(C2OC(=O)C)OC(=O)C5=COC=C5)OC(=O)C(CCC6=C(C=CC=N6)C(=O)OCC3(O4)C)(C)O)(C)O)OC(=O)C)OC(=O)C)OC(=O)C |
| TCMBANKIN059050 | Triptofordinine A2 | triptofordinine a1;triptofordinine a2; Triptofordinine A1 | 741.85 | CC(=O)OCC12C(CCC(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C=CC6=CC=CC=C6 | |
| TCMBANKIN059086 | Phenol, 2,4-bis(1,1-dimethylethyl) | phenol,2,4-bis(1,1-dimethylethyl);Phenol, 2,4-di(1,1-dimethylethyl)-; Prodox 146A-85X; WLN: 1X1&1&R BQ CX1&1&1; 137731_ALDRICH; ZINC01081075; 96-76-4; EINECS 202-532-0; 2,4-DI-T-BUTYLPHENOL; 1-Hydroxy-2,4-di-tert-butylbenzene; InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H; Phenol, 2,4-di-tert-butyl-; Prodox 146; NSC174502; 4-06-00-03493 (Beilstein Handbook Reference); 2,4-ditert-butylphenol; NSC 174502; ST5308551; 2,4-Di-tert-butylphenol; Phenol, 2,4-bis(1,1-dimethylethyl)-; NCGC00164059-01; 50356-26-8; 34785_FLUKA; BRN 1910383;2,4-di-tert-butylphenol;Antioxidant No. 33 | C14H22O | 206.32 g/mol | CC(C)(C)C1=CC(=C(C=C1)O)C(C)(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 |
| TCMBANKIN059168 | Tryptophenolide | KBio1_001606; KBio2_007338; KBio3_002756; Spectrum2_001618; KBio2_004770; KBio2_002202; Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-; BSPBio_003528; SDCCGMLS-0066775.P001; hypolide; (3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one; Spectrum4_001660; Spectrum5_000539; SPECTRUM1504005; DivK1c_006662; SPBio_001655; Triptophenolide; (3bR,9bS)-6-hydroxy-7-isopropyl-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one; KBioGR_002159; Spectrum_001722; Spectrum3_001928; 74285-86-2; SpecPlus_000566; KBioSS_002202 | C20H24O3 | 312.4 g/mol | CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)O |
| TCMBANKIN059172 | 81827-74-9 | (3bR,9bS)-9-hydroxy-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one; Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-9-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-; (3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one;AC1NSZ34; 9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one;neotriptophenolide | C21H26O4 | 342.43 | CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC4=C3COC4=O)C)O |
| TCMBANKIN059188 | beta-Terpinene | 1-isopropyl-4-methylene-cyclohexene; β-terpinene; 1-isopropyl-4-methylenecyclohexene; EINECS 202-793-0; 4-methylidene-1-propan-2-ylcyclohexene; p-Mentha-1(7),3-diene; 4-methylidene-1-propan-2-yl-cyclohexene; 99-84-3; Cyclohexene, 4-methylene-1-(1-methylethyl)-; Cyclohexene,4-methylene-1-(1-methylethyl)-; belta-terinene;Cyclohexene,4-methylene-1-(1-methylethyl) | C10H16 | 136.23 | CC(C)C1=CCC(=C)CC1 |
| TCMBANKIN059192 | triptolide b;triptolide a | CC(C)C12C(O1)C3(CCC4C(C3=CC2=O)(CCCC4(C)C(=O)OC)C)O | |||
| TCMBANKIN059532 | (1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one | C10H16O | 152.23 g/mol | CC1(C2CCC1(C(=O)C2)C)C | |
| TCMBANKIN059538 | 11-deoxyglycyrrhetic acid | C30H48O3 | 456.7 g/mol | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C | |
| TCMBANKIN059539 | abrusgenicacid | C30H48O4 | 472.7 g/mol | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5O)(C)C(=O)O)C)C)C)C | |
| TCMBANKIN059688 | tripterygone | C29H42O4 | 454.6 g/mol | CC1=C(C(=O)C=C2C1(CCC3C2CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O | |
| TCMBANKIN059689 | tripterine | C29H38O4 | 450.61 | CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O | |
| TCMBANKIN059737 | 2-methyl-3-hydroxypyridine | C6H7NO | 109.13 g/mol | CC1=C(C=CC=N1)O | |
| TCMBANKIN059746 | α-tocopherol | C29H50O2 | 430.7 g/mol | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C | |
| TCMBANKIN059758 | triptinin a | C21H28O3 | 328.45 g/mol | CC1=C(CCC2(C1CCC3=C2C=CC(=C3OC)C(C)C)C)C(=O)O | |
| TCMBANKIN059817 | 10,15-epoxy-11(15->1)-abeo-10-deacelybaccatin iii | CC1=C2C3C(=O)C4(C(CC5C(C4C(C2(CC1O)C(O3)(C)C)OC(=O)C6=CC=CC=C6)(CO5)OC(=O)C)O)C | |||
| TCMBANKIN059865 | D-delta-tocopherol | C27H46O2 | 402.65 | CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O | |
| TCMBANKIN059904 | p-cymen-alpha-ol | C10H14O | 150.22 g/mol | CC1=CC=C(C=C1)C(C)(C)O | |
| TCMBANKIN059914 | alpha-terpinene | C10H16 | 136.23 | CC1=CC=C(CC1)C(C)C | |
| TCMBANKIN060029 | parthenolide | C15H20O3 | 248.32 g/mol | CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C | |
| TCMBANKIN060101 | Triptolidenol | C20H24O7 | 376.4 | CC12CCC3=C(C1CC4C5(C26C(O6)C7C(C5O)(O7)C(C)(C)O)O4)COC3=O | |
| TCMBANKIN060102 | wilforonide | C13H16O3 | 220.26 g/mol | CC12CCC3=C(C1CCC(=O)C2)COC3=O | |
| TCMBANKIN060305 | muscarine(i); muscarine(ii) | C9H20NO2+ | 174.26 g/mol | CC1C(CC(O1)C[N+](C)(C)C)O | |
| TCMBANKIN060425 | Deoxygomisin A | C23H28O6 | 400.5 g/mol | CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 | |
| TCMBANKIN060473 | dehydroagastol | C21H26O4 | 342.4 g/mol | CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C | |
| TCMBANKIN060536 | asiatic acid | C30H48O5 | 488.7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060873 | arachidonic acid | C20H32O2 | 304.5 g/mol | CCCCCC=CCC=CCC=CCC=CCCCC(=O)O | |
| TCMBANKIN060874 | Ligla; gamma-linolenic acid | C18H30O2 | 278.43 | CCCCCC=CCC=CCC=CCCCCC(=O)O | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060889 | delta(9)-tetrahydrocannabinol | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O | |
| TCMBANKIN060891 | 2-Amyl furan | C9H14O | 138.21 g/mol | CCCCCC1=CC=CO1 | |
| TCMBANKIN060892 | tetrahydrocannabinol delta8 | CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O | |||
| TCMBANKIN060910 | cis-9-hexadecenoic acid | C16H30O2 | 254.41 g/mol | CCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060966 | gondoic acid | C20H38O2 | 310.5 g/mol | CCCCCCCCC=CCCCCCCCCCC(=O)O | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061118 | behenic acid | C22H44O2 | 340.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061494 | nobiletin | Spectrum4_001020; 38664-96-9; 7-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavone; CHEBI:28819; UNII-N7TD9J649B; MCULE-5348711723; SDCCGMLS-0066776.P001; N7TD9J649B; cid_442428; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-chromenone; 5-Hydroxy-2-(4-hydroxyphenyl)-7-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)-4-chromanon; EINECS 233-566-4; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringenin 7-Rhamnoglucoside; 30552-25-1; BSPBio_000574; NCGC00142617-03; MEGxp0_000930; HMS2231M18; J10148; GTPL4738; CS-5632; BDBM50241582; NCGC00142617-02; CCG-208591; 10236-47-2; 7-(2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4,5,7-trihydroxyflavone;Naringin; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; AIDS-003056; HY-N0153; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydrox; MLS000574877; 30174-44-8; NCI60_041691; Naringenine-7-rhamnosidoglucoside; NSC618903; Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside; DTXSID6022478; STOCK1N-40898; ACon1_000139; (S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; N2371; AIDS003056; naringin; Prestwick2_000467; MolPort-001-742-592; (2S)-Naringin; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromone; 5,6,7,8,3',4'-Hexamethoxyflavone; Flavone, 5,6,7,8,3',4'-hexamethoxy; DFPMSGMNTNDNHN-ZPHOTFPESA-N; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Spectrum2_001697; 17784-35-9; KBio3_001922; SPBio_002513; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-; Nobiletin; Spectrum3_000921; ACon1_000921; SMR000059108; 7-[[2-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-2(S)-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; IDI1_000247; Prestwick0_000467; BIDD:ER0262; NSC 76751; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl); s2329; naringenin 7-O-(alpha-L-rhamnosyl-(1,2)-beta-D-glucoside); NCGC00142617-01; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy- (9CI); MFCD00148888; BG00878320; ZINC8143604; Naringin (Naringoside); Naringoside, Naringenine-7-rhamnosidoglucoside, 10236-47-2; Prestwick3_000467; 10236-69-8; BRD-K02953697-002-03-3; cid_25075; SR-01000736681; NINDS_000247; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; SR-01000736681-4; MLS000877030; MLS000759462; SPECTRUM1505268; 478-01-3; ST072162; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one; AS-12929; 11032-31-8; C10112; CHEMBL451532; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringin hydrate; 236N472; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannapyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl), (S)-; KBioGR_001519; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one; DivK1c_000247; Naringenin 7-O-neohesperidoside; CC-32461; 4'5-diOH-Flavone-7-rhgluc; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; SCHEMBL23432; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-betaD-glucopyranoside; MLS000069459; HMS500M09; Naringenin-7-beta-neohesperidoside; (2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; Prestwick1_000467; AKOS016034302; AI3-19008; NCGC00095703-01; Naringoside; aurantiin; C09789; Hexamethoxyflavone; SMR000156231; 109010-50-6; KBio1_000247; AC1L9CSZ; yphenyl)chroman-4-one; ZINC01531669; Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]; MEGxp0_001877; C27H32O14; NSC76751; SPBio_001654; SR-01000736681-5; C-23277; BPBio1_000632;5,6,7,8,3',4'-hexamethoxyflavone | C21H22O8 | 402.4 g/mol | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
| TCMBANKIN061574 | feruloyltyramine | n- cis-feruloyltyramine; NP-001984; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; NCGC00169550-01; N-Trans-Feruloyl Tyramine; Moupinamide, >=95% (LC/MS-ELSD); 66648-43-9; Alfrutamide; trans-N-Feruloyltyramine; (E)-3-(4-Hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-phenyl)-ethyl]-acrylamide; N-Feruloyltyramine; ZINC901461; MEGxp0_000693; Feruloyltyramine; Moupinamide; BRD-K98045316-001-01-0; MolPort-001-740-847; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-; MCULE-4768764740; n-trans-feruloyl-tyramine; W1092; (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; ACon1_001233; N-trans-Feruloyltyramine; (2,3)trans-N-(p-Hydroxyphenethyl)ferulamide; CHEMBL206555; 65646-26-6; n- trans-feruloyltyramine; N-Transferuloyl Tyramine; MFCD17214811; AKOS025287596; CHEBI:17818; C02717; AC1NQX6M; (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; CHEBI:17818; 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; AIDS113439; (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; 3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (2,3)trans-N-(p-Hydroxyphenethyl)ferulamide; N-trans-Feruloyltyramine; C02717; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide; 3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide; N-Feruloyltyramine; 65646-26-6; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; AIDS-113439; 66648-43-9; Feruloyltyramine; moupinamide; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-; ACon1_001233; (E)-3-(4-Hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-phenyl)-ethyl]-acrylamide; MEGxp0_000693; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-, (2Z)-; 80510-09-4; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide; Moupinamide; n-trans-feruloyltyramine; N-E-feruloyl tyramine; n-cis-feruloyltyramine | C18H19NO4 | 313.3 g/mol | COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O |
| TCMBANKIN061762 | syringaresinol | (+)-Suyringaresinol-di-O-beta-D-glucoside_qt; (+)syringaresinol; (+)-Suyringaresinol-di-O-beta-D-glucoside; liriodendrin_qt; dl-Syringaresinol; syringaresinol diglucoside_qt; dl-sy-ringaresinol; (+)-syringaresinol-O-β-D-glucopyranoside; (+ )-syringaresinol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 21453-69-0; C10889; (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol; CHEBI:47; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (+)-syringaresinol; (+ )- syringaresinol; dl-syringaresinol; (-)-syringaresinol; episyringaresinol; (+)-syringarosinol; (+ )-Syringaresinol-O-β-D-glucopyranoside; syringaresino; (-)-syringaresinol; (?)-syringaresinol; (+)-Syringaresinol; lirioresinol-A | C34H46O18 | 742.72 | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC |
| TCMBANKIN061765 | medioresinol | 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (–)-Medioresinol; (+)-medioresinol; (+)-Medioresinol di-O-beta-D-glucopyranoside_qt; 40957-99-1 | C21H24O7 | 388.4 g/mol | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
| TCMBANKIN061865 | Anizol | Phenol methyl ether; HSDB 44; NSC7920; InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H; FEMA No. 2097; Anisol; 100-66-3; Anisole [UN2222] [Flammable liquid]; METHOXY-BENZENE (ANISOL); Methyl phenyl ether; 123226_SIAL; W209708_ALDRICH; AIDS-017804; NSC 7920; CHEBI:16579; Benzene, methoxy-; WLN: 1OR; UN2222; Methoxybenzene; FEMA Number 2097; AI3-00042; 296295_ALDRICH; ZINC00897131; Benzene, methoxy; Phenoxymethane; 10520_FLUKA; Ether, methyl phenyl; Ether, methyl phenyl-; Anisole; AIDS017804; EINECS 202-876-1; C01403; Phenyl methyl ether; 96109_FLUKA;anisole | C7H8O | 108.14 | COC1=CC=CC=C1 |
| TCMBANKIN000011 | cannabigerol | C21H32O2 | 316.48 | CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O | |
| TCMBANKIN000052 | cannabidiol | abn-cbd, (-)-4-(3-3,4-trans-p-menthadien-[1,8]-yl)olivetol; SCHEMBL16224872 | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O |
| TCMBANKIN000098 | linamarin | CHEBI:16441; 2-(beta-D-Glucopyranosyloxy)-2-methylpropionitrile; SR-05000002494-1; CTK8G0586; BSPBio_003283; KBioSS_002500; BICL4127; SCHEMBL42021; FT-0608720; KBio2_007628; 1-cyano-1-methylethyl beta-D-glucoside; KBio3_002503; C01594; Spectrum_001946; SpecPlus_000936; Spectrum3_001622; CCG-39428; 2-beta-d-glucopyranosyloxy-2-methylpropanenitrile; CHEMBL3039425; 2-(; LINAMARIN; SPBio_002123; KBio1_001976; W-203090; alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside, >=98.0% (HPLC); Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-; NCGC00178164-01; 2-Methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propanenitrile; 5-17-07-00397 (Beilstein Handbook Reference); AKOS030242445; MFCD00036209; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanenitrile; alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside; Linamarin; LS-120874; Spectrum5_000575; DTXSID8052857; Manihotoxin; KBio2_005060; SR-05000002494; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propionitrile; KBio2_002492; H3V9RP3WLO; UNII-H3V9RP3WLO; BRN 0019237; 2-(beta-D-Glucopyranosyloxy)-2-methyl-Propanenitrile; DivK1c_007032; 2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile; HSDB 3507; alpha-Hydroxyisobutyronitrile-beta-D-glucose; 2-(beta-D-Glucopyranosyloxy)isobutyronitrile; A-D-Glucopyranosyloxy)-2-methyl-propanenitrile; Spectrum2_001972; alpha-Hydroxyisobutyronitrile beta-D-glucose; 2-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]propanenitrile; C-51988; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propanenitrile; MolPort-003-665-717; A-D-Glucopyranosyloxy)-2-methylpropionitrile; ZINC3984017; Phaseolunatin; KBioGR_002195; 2-(b-D-Glucopyranosyloxy)-2-methylpropanenitrile, 9CI; SPECTRUM1504124; SDCCGMLS-0066829.P001; 2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile; Spectrum4_001668; AC1L1WOH; 554-35-8; AK600739; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile | C10H17NO6 | 247.24 g/mol | CC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O |
| TCMBANKIN015748 | tetrahydrocannabinol delta5 | C21H30O2 | CCCCCC1=CC2=C(C3CC(C=CC3C(O2)(C)C)C)C(=C1)O | ||
| TCMBANKIN020956 | cannabinolic acid | Cannabinolic acid; CTK1A7709; DTXSID60182356; CHEMBL464869; 6H-Dibenzo(b,d)pyran-2-carboxylic acid, 1-hydroxy-6,6,9-trimethyl-3-pentyl-; CBNA; 2808-39-1; cannabinolic acid A; AC1MIXY1; 6H-Dibenzo[b,d]pyran-2-carboxylicacid, 1-hydroxy-6,6,9-trimethyl-3-pentyl-; SCHEMBL13120592; cannabinolicacid; 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid | C22H26O4 | 354.4 g/mol | CCCCCC1=CC2=C(C3=C(C=CC(=C3)C)C(O2)(C)C)C(=C1C(=O)O)O |
| TCMBANKIN032324 | delta2-tetrahydrocannabinolic acid | CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1C(=O)O)(C)C)C)O | |||
| TCMBANKIN036806 | cannabinol | 521-35-7; NINDS_000972; Cannabinolum [INN-Latin]; Tox21_113486; 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran; NCGC00168261-01; Cannabinol [BAN:INN]; Cannabinol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol; DSSTox_RID_83188; CAS-521-35-7; CHEBI:3360; Cannabinol [INN:BAN]; cannabinol; Cannabinolum; C07580; Cannabinol (6CI); Cannabinol, analytical standard; Cannabinol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis; 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl- (7CI,8CI,9CI); D0U5LL; CHEMBL74415; KBio1_000972; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol. Product derived from Cannabis sativa; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol #; 6H-Dibenzo[b, 6,6,9-trimethyl-3-pentyl-; HMS503C05; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol; 5-17-04-00567 (Beilstein Handbook Reference); IDI1_000972; Cannabinol solution; ZINC1530833; C6520_SIGMA; DSSTox_CID_28922; C6888_SIGMA; NSC 134455; WLN: T B666 HO IHJ CQ E5 I1 I1 M1; DivK1c_000972; DTXSID3048996; Cannabinolo [DCIT]; AC1L1DWZ; L000158; UNII-7UYP6MC9GH; Cannabinolo; 7UYP6MC9GH; 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl-; VBGLYOIFKLUMQG-UHFFFAOYSA-N; LMPK13120002; 3-amyl-6,6,9-trimethyl-benzo[c]chromen-1-ol; BRN 0237145; NSC-134455; GTPL740; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol(Cannabinol); FT-0664223; 6,6,9-trimethyl-3-pentyl-1-benzo[c]chromenol; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol (Cannabinol); SCHEMBL121085; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol; Cannabinol 1.0 mg/ml in Methanol; DSSTox_GSID_48996; 6,6,9-trimethyl-3-pentyl-benzo[c]chromen-1-ol; 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol; NSC134455; 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo(b,d)pyran; BDBM50061117; AKOS024457448; 6H-Dibenzo(b,d)pyran-1-ol, 6,6,9-trimethyl-3-pentyl-; LMPK02000025; LS-61184; 3-Amyl-1-hydroxy-6,9-trimethyl-6H-dibenzo[b,d]pyran; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol | C21H26O2 | 310.43 | c1([H])c(C([H])([H])[H])c([H])c(c(c(O[H])c([H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c2[H])c2OC3(C([H])([H])[H])C([H])([H])[H])c3c1[H] |
| TCMBANKIN036807 | cannabidiolic acid | cannabidiolicacid; 2,4-dihydroxy-3-[(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate; CBDA | C22H30O4 | 358.471 | C1(C([H])([H])[H])=C([H])[C@@]([H])(c2c(O[H])c(C(=O)O[H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c2O[H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN036842 | piperine | KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0 | C17H19NO3 | 285.338 | c12c(OC([H])([H])O1)c([H])c([H])c(\C([H])=C([H])\C([H])=C([H])\C(=O)N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c2[H] |
| TCMBANKIN044315 | Δ8-Tetrahydrocannabinol | ||||
| TCMBANKIN046023 | 7alpha,21S,25-Trihydroxy-3beta-acetoxy-21S,23R-epoxy-9(11)-en-dammarane | [(3S,8S,10S)-7-hydroxy-17-[(2S,5R)-2-hydroxy-5-(2-hydroxy-2-methylpropyl)oxolan-3-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; AC1NT14F; 7α,21s,25-trihydroxy-3β-acetoxy-21s,23r-epoxy-9(11)-en-dammarane; 7alpha,21s,25-trihydroxy-3beta-acetoxy-21s,23r-epoxy-9(11)-en-dammarane | C32H52O6 | 532.84 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(=C([H])C([H])([H])[C@]([H])([C@@]([H])([C@]2([H])[C@@]([H])(O[H])O[C@@]([H])(C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])C3([H] )[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])[C@]([H])(O[H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])OC(=O)C([H])([H])[H] |
| TCMBANKIN058004 | trigonelline | Prestwick_70; N-Methylnicotinic acid betaine hydrochloride; 1-methyl-3-pyridin-1-iumcarboxylate hydrochloride; MFCD00077250; SCHEMBL468365; A833196; trigonelline ; trigonelline HCl; 1-methylpyridin-1-ium-3-carboxylate hydrochloride; AC1O4WFS; 1-Methylpyridinium-3-carboxylate hydrochloride; T-6500; CHEMBL489961; trigonellin; gynesine; trigonelline | C7H7NO2 | 137.14 g/mol | C[N+]1=CC=CC(=C1)C(=O)[O-] |
| TCMBANKIN058619 | isochavicine | KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; Chavicine; UNII-95JV386FPD; AC1LU7IN; CAS-94-62-2; SCHEMBL119081; CHEMBL1395862; piperine; chavicine; isopiperine; (Z,Z)-1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine; NCGC00016355-01; Chavicin; 95JV386FPD; 495-91-0; cis-Piperine; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (Z,Z)-; MXXWOMGUGJBKIW-PORYWJCVSA-N; (2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; ZINC5368587; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,Z)-; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0 | C17H19NO3 | 285.34 g/mol | C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 |
| TCMBANKIN058628 | PIP | 643602_ALDRICH; LS-3053; CHEBI:18049; EINECS 203-813-0; NCIOpen2_007828; CCRIS 967; W290807_ALDRICH; Hexazane; Piperidine [UN2401] [Corrosive]; InChI=1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H; Piperidin [German]; Hexahydropyridine; FEMA No. 2908; 411027_ALDRICH; Perhydropyridine; AI3-24114; 80640_FLUKA; Pentamethylenimine; Pyridine, hexahydro-; Cyclopentimine; Piperidine solution; Piperidine; UN2401; 571261_SIAL; 80645_FLUKA; C01746; Pentamethyleneimine; Cypentil; Azacyclohexane; ST5213814; 33537_RIEDEL; HSDB 114; Piperidine on Rasta Resin; 104094_SIAL; 110-89-4; NCIMech_000312;BG00956967; BCP0726000204; AN-3762; DTXSID30705359; (7bR,10aR)-2,3,4,7B,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indolehydrochloride; CO-124; AX8163273; (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1(16),2,4-TRIENE HYDROCHLORIDE; WAY163909-HCl; (7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE; AKOS016002206; 428868-35-3; PS-J-141; AK-38565; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole--hydrogen chloride (1/1); (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1,3,5(16)-TRIENE HYDROCHLORIDE; KB-277464; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole hydrochloride; (7BR,10AR)-2,3,4,7B,8,9,10,10A-Octahydro-1H-cyclopenta[b][1,4diazepino][6,7,1-HI]indole hydrochloride;piperidine | C5H11N | 85.15 g/mol | C1CCNCC1 |
| TCMBANKIN058726 | selina-4(15),7(11)-diene | eudesma-4-(14), 7(11)diene; Gamma-Selinene; eudesma-4(14),7(11)-diene; (4aR-trans)-Decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene; CHEBI:138051; gamma-selinene; Selina-4(15),7(11)-diene; 515-17-3; C21707; Selina-4(14),7(11)-diene; (4aR,8aS)-4a-methyl-1-methylidene-7-(propan-2-ylidene)decahydronaphthalene; RMZHSBMIZBMVMN-LSDHHAIUSA-N; Eudesma-4(14),7(11)-diene | C15H24 | 204.35 g/mol | CC(=C1CCC2(CCCC(=C)C2C1)C)C |
| TCMBANKIN058842 | trans nerolidol; | 3,7,11-trimethyl-1,6,10-dodecatrien-3-ol; Trans- nerolidol; .+/-.-trans-Nerolidol; 1,6,10-Dodecatrien-3-ol,3,7,11-trimethyl-,(E)-; trans-Nerolidol | C15H26O | 222.37 g/mol | CC(=CCCC(=CCCC(C)(C=C)O)C)C |
| TCMBANKIN059587 | inalool oxide | C10H18O2 | 170.25 g/mol | CC1(CCC(O1)C(C)(C)O)C=C | |
| TCMBANKIN060889 | delta(9)-tetrahydrocannabinol | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O | |
| TCMBANKIN060892 | tetrahydrocannabinol delta8 | CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O | |||
| TCMBANKIN061508 | methyleugenol | 29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene | C11H14O2 | 178.23g/mol | COC1=C(C=C(C=C1)CC=C)OC |
| TCMBANKIN000011 | cannabigerol | C21H32O2 | 316.48 | CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O | |
| TCMBANKIN000052 | cannabidiol | abn-cbd, (-)-4-(3-3,4-trans-p-menthadien-[1,8]-yl)olivetol; SCHEMBL16224872 | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O |
| TCMBANKIN036807 | cannabidiolic acid | cannabidiolicacid; 2,4-dihydroxy-3-[(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate; CBDA | C22H30O4 | 358.471 | C1(C([H])([H])[H])=C([H])[C@@]([H])(c2c(O[H])c(C(=O)O[H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c2O[H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN060889 | delta(9)-tetrahydrocannabinol | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O | |
| TCMBANKIN000052 | cannabidiol | abn-cbd, (-)-4-(3-3,4-trans-p-menthadien-[1,8]-yl)olivetol; SCHEMBL16224872 | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O |
| TCMBANKIN041756 | stigmasta-5-en-3β-ol-7-one | C29H48O2 | |||
| TCMBANKIN042626 | Stigmasta-5,22-dien-3β-ol-7-one | ||||
| TCMBANKIN047926 | Stigmasta-4,22-dien-3-one | 410.7 g/mol | |||
| TCMBANKIN049949 | neurine | C5H13NO | 103.16 g/mol | C[N+](C)(C)C=C.[OH-] | |
| TCMBANKIN060675 | stigmasta-7, 22-dien-3-one | C29H46O | 410.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C)C(C)C | |
| TCMBANKIN060889 | delta(9)-tetrahydrocannabinol | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O | |
| TCMBANKIN000011 | cannabigerol | C21H32O2 | 316.48 | CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O | |
| TCMBANKIN000052 | cannabidiol | abn-cbd, (-)-4-(3-3,4-trans-p-menthadien-[1,8]-yl)olivetol; SCHEMBL16224872 | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O |
| TCMBANKIN000108 | n-acetyl-d-glucosamine | C8H15NO6 | 221.21 g/mol | CC(=O)NC1C(C(C(OC1O)CO)O)O | |
| TCMBANKIN016541 | Δ1-tetrahydrocannabinolicacid a | ||||
| TCMBANKIN018263 | cannabichromenic acid | cannabichromenate; CBCA; HRHJHXJQMNWQTF-UHFFFAOYSA-M; cannabichromenicacid; 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromene-6-carboxylic acid | C22H29O4- | 357.5 g/mol | CCCCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)O)[O-] |
| TCMBANKIN020956 | cannabinolic acid | Cannabinolic acid; CTK1A7709; DTXSID60182356; CHEMBL464869; 6H-Dibenzo(b,d)pyran-2-carboxylic acid, 1-hydroxy-6,6,9-trimethyl-3-pentyl-; CBNA; 2808-39-1; cannabinolic acid A; AC1MIXY1; 6H-Dibenzo[b,d]pyran-2-carboxylicacid, 1-hydroxy-6,6,9-trimethyl-3-pentyl-; SCHEMBL13120592; cannabinolicacid; 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid | C22H26O4 | 354.4 g/mol | CCCCCC1=CC2=C(C3=C(C=CC(=C3)C)C(O2)(C)C)C(=C1C(=O)O)O |
| TCMBANKIN036807 | cannabidiolic acid | cannabidiolicacid; 2,4-dihydroxy-3-[(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate; CBDA | C22H30O4 | 358.471 | C1(C([H])([H])[H])=C([H])[C@@]([H])(c2c(O[H])c(C(=O)O[H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c2O[H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN045959 | cannabiscitrin | C21H20O12 | 464.376 | c1([H])c(OC(c2c([H])c(O[H])c(O[H])c(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])O[H])O3)c2[H])=C([H])C4=O)c4c(O[H])c([H])c1O[H] | |
| TCMBANKIN047794 | acetyl cannabispirol | C17H22O4 | 290.4 g/mol | CC(=O)OC1CCC2(CC1)CCC3=C2C(=CC(=C3)OC)O | |
| TCMBANKIN060889 | delta(9)-tetrahydrocannabinol | C21H30O2 | 314.5 g/mol | CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O |
植物对应的疾病
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植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
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