Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE002732 |
ID: | TCMBANKHE002732 |
功能与主治: | 1. Treatment of damp-heat obstruction syndrome. Silkworm excrement (Cansha) is used with Tetrandra root (Fangji), Coix seed (Yiyiren) and Talc (Huashi) in the formula Xuanbi Tang .2. Eczema. The decoction of the herb is used for external washing. 3. Treat |
药用植物名: | 蚕沙 |
治疗类型: | 祛风湿散寒药 |
TCM_ID_id: | 1462 |
SymMap_id: | 50 |
TCMSP_id: | 69 |
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 |
|---|
| TCMBANKIN000099 | leonurine | ST24030828; DTXSID70179434; CHEBI:80843; S-2878; Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-[(aminoiminomethyl)amino]butyl ester; Ambotz24697-74-3; HY-N0741; MolPort-003-986-659; KS-000001AK; 7097-09-8; 4-carbamimidamidobutyl 4-hydroxy-3,5-dimethoxybenzoate; DS-1032; AC1L4PH9; 4-guanidinobutyl 4-hydroxy-3,5-dimethoxy-benzoate; ZINC5998954; 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate; 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxy-benzoate hydrochloride; Leonurine-hydrochloride; FT-0659198; 697L743; CHEMBL1290284; AKOS025395615; N1392; CS-6071; 4-hydroxy-3,5-dimethoxybenzoic acid 4-guanidinobutyl ester; UNII-09Q5W34QDA; SC-45204; C16985; Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-((aminoiminomethyl)amino)butyl ester; 09Q5W34QDA; SCM-198; VA11156; 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxy-benzoate; MolPort-028-751-518; AN-3671; AB0023697; 4CH-009045; MFCD09839432; AK-39841; 4-Guanidino-n-butyl syringate; 7097/9/8; TL8002025; SCHEMBL2685302; BR-39841; 4-GUANIDINOBUTYL 4-HYDROXY-3,5-DIMETHOXYBENZOATE; Leonurine; 24697-74-3; W4810; Leonurine hydrochloride; AKOS015920020; 4-hydroxy-3,5-dimethoxy-benzoic acid 4-guanidinobutyl ester; D08KHD; AJ-64863 | C14H21N3O5 | 311.33 | COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N |
| TCMBANKIN000244 | CPI | C00408; (S)-(-)-pipecolic acid; L-pipecolate ester; (2S)-piperidine-2-carboxylic acid; L-(-)-pipecolic acid; (S)-pipecolic acid; 6-CARBOXYPIPERIDINE; Pipecolic acid; P2519_SIGMA; (2S)-2-piperidinecarboxylic acid; 2-Piperidinecarboxylic acid; L-pipecolate esters; (2S)-pipecolinic acid; Pipecolinic acid; CHEBI:30913; (S)-(−)-2-Piperidinecarboxylic acid; SBB006732; CHEBI:46876; (S)-piperidine-2-carboxylic acid; L-Homoproline | C6H11NO2 | 129.16 | CC(C)(C(=O)OC)[N+]#[C-] |
| TCMBANKIN001910 | 1-phenyl-2,4-hexadiyne-1-ol | C12H10O | 170.21 g/mol | CC#CC#CC(C1=CC=CC=C1)O | |
| TCMBANKIN002091 | bombiprenone | C43H70O | 603 g/mol | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)C)C)C)C)C | |
| TCMBANKIN002287 | Hydro Cinnamicacid | A807624; hydrocinnamic acid; 9198-EP2295412A1; 9198-EP2308873A1; A827992; 9198-EP2292614A1; 9198-EP2269977A2; hydrocinnamicacid; 23157-EP2270004A1; 3-phenyl propionate; XMIIGOLPHOKFCH-UHFFFAOYSA-M; 3-phenylpropionate; 9198-EP2281559A1; 23157-EP2314584A1; 9198-EP2308875A1; CJ-01348; 9198-EP2311837A1; 9198-EP2298734A2; 9198-EP2295426A1; 9198-EP2295413A1; 9198-EP2295550A2; 9198-EP2298775A1; 9198-EP2272840A1; CHEBI:51057; DB-003598; 9198-EP2308845A2; 9198-EP2316836A1; 9198-EP2316834A1; ZB005823; BDBM36026; 9198-EP2308861A1; 9198-EP2308872A1; hydrocinnamate; 9198-EP2295437A1; 9198-EP2308846A2; 9198-EP2272839A1; 9198-EP2374454A1; 9198-EP2295427A1; 9198-EP2292227A2; AKOS024438278; 9198-EP2311831A1; 9198-EP2311842A2; 9198-EP2308844A2; 3-phenyl-propionate; 9198-EP2316829A1; 9198-EP2316835A1; 3-phenylpropanoate; AC1NHIRM; 9198-EP2280010A2; 23157-EP2289891A2; 9198-EP2277876A1 | C9H10O2 | 150.17 | C1=CC=C(C=C1)CCC(=O)[O-] |
| TCMBANKIN002670 | (5R,6S)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyr | (5R,6S)-5-ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl; (5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2; (5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]ox | 842.84 | ||
| TCMBANKIN002672 | Spantol | Phenprobamate; BRN 1959273; Gamaquil; NSC 50538; Benzenepropanol, carbamate (9CI); Carbamic acid, 3-phenylpropyl ester; MH532; Ansepron; .gamma.-Phenylpropyl carbamate; WLN: ZVO3R; NCGC00164589-01; .gamma.-Phenylpropylcarbamat; NSC64270; Phenprobamate [BAN:DCF:INN:JAN]; 3-Phenyl-1-propanol carbamate; NSC 64270; Qumamquil; Spantol (TN); Eirenal; Phenprobamate (JAN); Fenprobamato; NSC44682; 3-Phenylpropyl carbamate; Benzenepropanol carbamate; Nelaxan; Actiphan; 673-31-4; 1-Carbamoyloxy-3-phenylpropane; NSC50538; NSC 44682; NCIOpen2_000174; D01824; Palmita; Fenprobamato [INN-Spanish]; SMR000466378; gamma-Phenylpropyl carbamate; Extacol; Proformiphen; MH 532; HG 532; Actozine; carbamic acid 3-phenylpropyl ester; MLS000759511; 1-Propanol, 3-phenyl-, carbamate; MH-532; Phenoprobamate; EINECS 211-606-1; Tranquil; Istonil; gamma-Phenylpropylcarbamat [German]; Benzenepropanol, carbamate; Phenprobamatum [INN-Latin] | C10H13NO2 | 179.22 | C1=CC=C(C=C1)CCCOC(=O)N |
| TCMBANKIN003707 | 13,2-hydroxy(13,2-R,S)pheophytin a | 889.35 | |||
| TCMBANKIN005827 | neophytadiene | 7,11,15-trimethyl-3-methylidene-hexadec-1-ene; Neophytadiene; Neophytadiene 1-Hexadecene,7,11,15-trimethyl-3-methylene | C20H38 | 278.52 | CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C |
| TCMBANKIN005868 | neopine | CCG-39441; Neopin; C09594; KBio3_001981; EINECS 207-387-7; Spectrum2_001745; Spectrum4_001139; Spectrum5_001754; Neopine; DTXSID80196910; BSPBio_002761; SPBio_001850; SCHEMBL679477; UNII-TM43JB0IA8; 467-14-1; KBioGR_001657; (5alpha,6alpha)-8,14-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol; 27115-17-9; CHEBI:7509; Spectrum3_001011; TM43JB0IA8; BRD-K34252131-001-02-0; beta-Codeine | C18H21NO3 | 299.4 g/mol | CN1CCC23C4C(CC=C2C1CC5=C3C(=C(C=C5)OC)O4)O |
| TCMBANKIN006100 | methyl guaia-1(10),11-dien-15-carboxylate | AC1NSYF1; methyl 1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylate | CC1CCC2=C(CCC(CC12)C(=C)C)C(=O)OC | ||
| TCMBANKIN006114 | tetraacetylbrazilin | Tetraacetylbrazilin; Brazilin tetraacetate; Brx-019; AC1OCFZ1; [(6aS,11bR)-6a,9,10-triacetyloxy-7,11b-dihydro-6H-indeno[2,1-c]chromen-3-yl] acetate | C24H22O9 | 454.4 g/mol | CC(=O)OC1=CC2=C(C=C1)C3C4=CC(=C(C=C4CC3(CO2)OC(=O)C)OC(=O)C)OC(=O)C |
| TCMBANKIN006791 | (+)-karanone | AC1NSXAA; (3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one | C15H20O | CC1CC=CC2=CC(=O)C(CC12C)C(=C)C | |
| TCMBANKIN006987 | Gulutamine | 25513-46-6; G1251_SIGMA; Glutamic acid, L-, peptides; Acidum glutamicum; BPBio1_001132; L-Glutamic acid (9CI); AIDS071819; nchembio.2007.55-comp22; (S)-2-aminopentanedioic acid; L-Glutaminic acid; 26717-13-5; E 620; Biomol-NT_000170; Lopac0_000529; D00007; L-Glutamic acid, homopolymer (9CI); Poly(alpha-L-glutamic acid); NCGC00024502-01; (2S)-2-aminoglutaric acid; NCGC00024502-03; 24938-00-9; PDSP1_001539; L-Glutamic acid (JAN); W328502_ALDRICH; alpha-L-Glutamic acid polymer; HSCI1_000269; 09581_FLUKA; AIDS-071819; G5667_SIGMA; L-Glutaminsaeure; 49449_FLUKA; nchembio816-comp2; PDSP2_000127; Glutamic acid polymer; PDSP2_001523; alpha-Glutamic acid; G8415_SIGMA; C00025; 84960-48-5; Tocris-0218; CHEBI:16015; L-alpha-Aminoglutaric acid; PDSP1_000128; Glutamic acid, L- (7CI,8CI); (2S)-2-aminopentanedioic acid; POLYGLUTAMIC ACID; LS-2330; Gulutamine (USP) | C5H9NO4 | 147.13 g/mol | C(CC(=O)O)C(C(=O)O)N |
| TCMBANKIN007108 | 6,8-Dihydroxy-5-methylflavanone | ||||
| TCMBANKIN007768 | 19-(r)-hydroxydihydrogelsemine | C20H24N2O3 | 340.4 g/mol | CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6NC4=O)C)O | |
| TCMBANKIN008137 | methyl gymnaconitine | C35H49NO8 | 611.8 g/mol | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C=CC7=CC(=C(C=C7)OC)OC)OC)O)OC)COC | |
| TCMBANKIN009678 | Jiofuran | jiofuran; (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol; 124902-19-8; AC1NSX7L | C9H12O4 | 184.19 g/mol | C1=C2C(C(C(C2=CO1)O)O)CCO |
| TCMBANKIN009960 | clerodendrin A | clerodendrin a; [(2S,4aR,5R)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-acetyloxy-2-methylbutanoate; AC1NSTPG | C31H42O12 | 606.66 | CCC(C)(C(=O)OC1C(CC2C(C(=CC(C2(C13CO3)COC(=O)C)OC(=O)C)C)(C)C4CC5C=COC5O4)O)OC(=O)C |
| TCMBANKIN010395 | cleomiscosin c | SCHEMBL4545353; BG01704417; ZINC13400299; W1851; CHEMBL465491; Cleomiscosin C; 9H-Pyrano[2,3-f]-1,4-benzodioxin-9-one,2,3- dihydro-3-(4-hydroxy-3,5-dimethoxyphenyl)- 2-(hydroxymethyl)-5-methoxy-,(2R,3R)-rel-; (2R,3R)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-2-(HYDROXYMETHYL)-5-METHOXY-2H,3H-[1,4]DIOXINO[2,3-H]CHROMEN-9-ONE; AKOS032948612; MolPort-035-706-073; 84575-10-0 | C21H20O9 | 416.4 g/mol | COC1=CC(=CC(=C1O)OC)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO |
| TCMBANKIN011129 | Z-Leu-OH | Benzyloxycarbonylleucine; Benzyloxycarbonyl-L-leucine; CHEBI:28282; 521221_ALDRICH; Z-L-Leucine; (2S)-2-(benzyloxycarbonylamino)-4-methyl-valeric acid; NSC 60039; C04335; N-Carbobenzyloxy-L-leucine; Carbobenzoxyleucine; N-((Phenylmethoxy)carbonyl)-L-leucine; N(alpha)-Benzyloxycarbonyl-L-leucine; 3-06-00-01503 (Beilstein Handbook Reference); ST5307194; N-Cbz-L-leucine; L-Leucine, N-((phenylmethoxy)carbonyl)- (9CI); (2S)-4-methyl-2-[[oxo-(phenylmethoxy)methyl]amino]pentanoic acid; N-Carbobenzoxy-L-leucine; Carbobenzoxy-L-leucine; (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid; L-N-Carboxyleucine N-benzyl ester; BRN 1253861; Leucine, N-carboxy-, N-benzyl ester, L-; N-Benzyloxycarbonyl-L-leucine; Carbobenzyloxy-L-leucine; N-Benzyloxycarbonylleucine; EINECS 217-960-3 | C6H13NO2 | 131.17 | CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| TCMBANKIN011528 | (?)-guaia-1(10),11-dien-15,2-olide | C15H20O2 | 232.32 g/mol | CC1CC2C3=C(CCC(CC13)C(=C)C)C(=O)O2 | |
| TCMBANKIN011534 | (?)-guaia-1(10),11-dien-15-al | C15H22O | 218.33 g/mol | CC1CCC2=C(CCC(CC12)C(=C)C)C=O | |
| TCMBANKIN011720 | tetrahydroxynorbufostane | CC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)CO | |||
| TCMBANKIN012043 | hydrocotarnine | CAS-5985-00-2; 5985-00-2; Tox21_110552; NSC99784; 1,5-g]isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrobromide; HYDROCOFARMINE HBR; Tox21_110552_1; FT-0627128; CCG-38859; SR-01000842151-3; HMS1569J12; 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinoline hydrobromide; DSSTox_RID_80849; CHEMBL1569495; SMR001233253; 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrobromide (1:1); NCGC00016666-01; EN300-191460; XSR2NNV6TM; 8-Methoxy-5,6-methylenedioxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromide; SR-01000842151; DTXSID9045392; Hydrocotarnine hydrobromide; Prestwick_267; MLS002153904; NSC-99784; AC1O4WGO; DSSTox_GSID_45392; DSSTox_CID_25392; NCGC00016666-06; SCHEMBL4281040; 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrobromide; UNII-XSR2NNV6TM | C12H15NO3 | 221.25 g/mol | CN1CCC2=CC3=C(C(=C2C1)OC)OCO3 |
| TCMBANKIN014022 | 6-hydroxy--2-[2-(3'--methoxy--4'--p-ethyl)] chromone | ||||
| TCMBANKIN014160 | ah18 | 2-phenethyl-7-[[(6R,7S)-6,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-5-yl]oxy]-6-[[(6S,8R)-6,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one; AC1NSUVJ | C51H46O14 | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC(=C(C=C3O2)OC4C(C(C(C5=C4C(=O)C=C(O5)CCC6=CC=CC=C6)O)O)O)OC7C(C(C(C8=C7C(=O)C=C(O8)CCC9=CC=CC=C9)O)O)O | |
| TCMBANKIN014552 | 6-methoxy--2-[2-(3'--methoxy--4'--p-ethyl)] chromone | ||||
| TCMBANKIN017641 | ah21 | C34H28O8 | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC4=C(C=C3O2)OC5C(C(C6=C(C5O4)C(=O)C=C(O6)CCC7=CC=CC=C7)O)O | ||
| TCMBANKIN018462 | dihydrokoumine | C20H24N2O | CN1CC2(C3CC4C5C2(CC1C3CO4)C6=CC=CC=C6N5)C=C | ||
| TCMBANKIN018592 | (+)-1,5-Epoxy-nor-ketoguaia-11-ene | (+)-1,5-epoxy-nor-ketoguaia-11-ene; 1,5-Epoxy-14-nor-11-guaien-10-one | C14H20O2 | 220.31 g/mol | CC1CCC23C1(O2)CC(CCC3=O)C(=C)C |
| TCMBANKIN019171 | dehydrojinkoheremol | 1,9-Eremophiladien-11-ol; AC1NSUB4; 2-(8,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalen-2-yl)propan-2-ol | C15H24O | 220.35 g/mol | CC1CC=CC2=CCC(CC12C)C(C)(C)O |
| TCMBANKIN019532 | 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone (ah11) | 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone(ah11); 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone (ah11); 8-hydroxy-5-(6-hydroxy-4-oxo-2-phenethylchromen-5-yl)-2-phenethylchromen-4-one; AC1NSUX5; 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone(ah11) | C34H26O6 | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3C4=C5C(=O)C=C(OC5=C(C=C4)O)CCC6=CC=CC=C6)O | |
| TCMBANKIN020884 | isoagastachoside | AC1NSWX2; [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl] acetate | C24H24O11 | CC(=O)OC1C(C(C(OC1OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)CO)O)O | |
| TCMBANKIN021543 | (5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-[2-(2-hydroxyphenyl)ethyl]-5,6,7,8-tetrahydrochromen-4-one | 334.35 | |||
| TCMBANKIN021844 | (E,7S,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol | C20H40O | 296.53 | ||
| TCMBANKIN022208 | jinkohol ii | 2,3,4,5,6,7,8,8abeta-Octahydro-3beta,8,8-trimethyl-1H-3abeta,6beta-methanoazulene-7alpha-methanol | C14H24O | 208.34 g/mol | CC1CCC2C13CCC(C3)C(C2(C)C)O |
| TCMBANKIN022375 | (E)-4-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one | (E)-4-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl]but-3-en-2-one | C19H32O7 | 372.45 | |
| TCMBANKIN023035 | ah19b | C51H46O14 | |||
| TCMBANKIN023231 | methyl 9-hydroxyselina-4,11-dien-14-oate | ||||
| TCMBANKIN024517 | 6-methoxy-2-acetyl-3-methyl-1,4-naphtho-quinone-8-o-β-d-glucopyranoside | C20H22O10 | |||
| TCMBANKIN025118 | 3S,5R-dihydroxy -6R,7-megstigmadien-9-one | 224.33 | |||
| TCMBANKIN025881 | 4-undecyne | C-24930; AC1L3NPF; DTXSID40208962; KB-40535; SBB009001; 4-Undecyne; RUEKFLJTCZKAMH-UHFFFAOYSA-N; CTK2F7103; I14-112486; 4-C11H20; undec-4-yne; MFCD00049131; FT-0619548; ZINC2564178; 60212-31-9; DB-053558; AKOS006229391; CC-20529 | C11H20 | 152.28 g/mol | CCCCCCC#CCCC |
| TCMBANKIN025967 | 1-Penten-3-one | E51309_ALDRICH; ZINC01574309; W338206_ALDRICH; FEMA No. 3382; EINECS 216-624-3; 05020_FLUKA; NSC81211; BRN 1735857; CCRIS 4223; 1-Pentene-3-one; NSC 81211; 1629-58-9; WLN: 2V1U1; pent-1-en-3-one; Ethylvinyl ketone; 4-01-00-03457 (Beilstein Handbook Reference); NCGC00090734-01; InChI=1/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H; Ethyl vinyl ketone; Ketone, ethyl vinyl | C5H8O | 84.12 | CCC(=O)C=C |
| TCMBANKIN026806 | (?)-selina-3,11-dien-9-one | C15H22O | 218.33 g/mol | CC1=CCCC2(C1CC(CC2=O)C(=C)C)C | |
| TCMBANKIN027732 | ah19a | C51H46O14 | |||
| TCMBANKIN028379 | LUT | (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol; 95507_FLUKA; (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol; (3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL, LUTEIN; alpha-Carotene-3,3'-diol; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol; X6250_SIGMA; beta, epsilon-carotene; beta, epsilon-carotene-3,3′-diol | C40H56O2 | 568.87 | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C |
| TCMBANKIN028397 | phyto1 | 0 | |||
| TCMBANKIN029238 | baimuxiniol | ||||
| TCMBANKIN029504 | 4-methoxy-5-methyl-coumarin-7-O-β-D- glucopyranoside | ||||
| TCMBANKIN030984 | neopetasone | (3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one; 13902-42-6; Eremophyla-9,11-dien-8-one; Neopetasane; DIZRSLUNVNGBPA-NJZAAPMLSA-N; AC1NSZ2P; SCHEMBL7711305 | C15H22O | 218.33 g/mol | CC1CCCC2=CC(=O)C(CC12C)C(=C)C |
| TCMBANKIN032050 | ah20 | AC1NSUVY; 2-phenethyl-5-[[(5S,8S)-5,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-6-yl]oxy]-8-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one | C51H46O14 | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)OC4=C5C(=O)C=C(OC5=C(C=C4)OC6C(C(C(C7=C6C(=O)C=C(O7)CCC8=CC=CC=C8)O)O)O)CCC9=CC=CC=C9)O)O | |
| TCMBANKIN032295 | (E)-4-[(1R,4S,6R)-2,2,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]but-3-en-2-one | (E)-4-[(1R,4S,6R)-2,2,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl]but-3-en-2-one; (E)-4-[(1R,4S,6R)-2,2,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclohexyl]but-3-en-2-one; (E)-4-[(1R,4S,6R)-2,2,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-cyclohexyl]but-3-en-2-one; (E)-4-[(1R,4S,6R)-2,2,6-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]cyclohexyl]but-3-en-2-one | C19H32O7 | 372.45 | |
| TCMBANKIN033394 | DUC | 5,6-dihydrouracil; dihydrouracil; A2439/0103396; 5,6-Dihydro-2,4(1H,3H)-pyrimidinedione; 1,3-diazinane-2,4-dione; 504-07-4; C03919; CHEBI:15901; NSC 11867; C00429; Hydrouracil (8CI); ZINC00895228; 5,6-Dihydro-2,4-dihydroxypyrimidine; NSC11867; Hydrouracil; 3,4-DIHYDROURACIL; 2,4(1H,3H)-Pyrimidinedione, dihydro-; AI3-50443; DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE; DI-H-URACIL; Hydrouracil (6CI,8CI); AIDS-081842; EINECS 207-982-1; 4,5-dihydrouracil; Dihydrouracile; AIDS081842; hexahydropyrimidine-2,4-dione; FR-0140; 2,4-Dioxotetrahydropyrimidine; 2,4(1H,3H)-Pyrimidinedione, dihydro- (9CI); D7628_SIGMA | C4H6N2O2 | 114.1 | C1CNC(=O)NC1=O |
| TCMBANKIN034293 | (?)-selina-3,11-dien-14-al | C15H22O | 218.33 g/mol | CC(=C)C1CCC2(CCC=C(C2C1)C=O)C | |
| TCMBANKIN034307 | selinane | C15H28 | 208.38 g/mol | CC1CCCC2(C1CC(CC2)C(C)C)C | |
| TCMBANKIN036966 | Norketoagarofuran | nor-ketoagarofuran | 222.32 g/mol | ||
| TCMBANKIN037117 | β-Agarofuran | beta-agarofuran | 220.35 g/mol | ||
| TCMBANKIN037238 | Jinkohol | 2,3,4,5,6,7,8,8abeta-Octahydro-3beta,7,8,8-tetramethyl-1H-3abeta,6beta-methanoazulen-7alpha-ol | C15H26O | 222.366 | C1([H])([H])[C@]2([H])[C@@]3(C([H])([H])[C@@]([H])(C([H])([H])C3([H])[H])[C@@](O[H])(C([H])([H])[H])C2(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H] |
| TCMBANKIN037266 | Karounidiol | D:C-Friedo-oleana-7,9(11)-diene-3 alpha,29-diol]; (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-11-methylol-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol; (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol; NCI60_037647; karounidiol; CCRIS 7117; 26-Noroleana-7,9(11)-diene-3,29-diol, 13-methyl-,(3alpha,13alpha,14beta,20alpha)-; 3-epi-Karounidiol; NSC705536; D:C-Friedooleana-7,9(11)-diene-3.alpha.,29-diol | C30H48O2 | 440.7 | CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)O)C |
| TCMBANKIN037492 | agarol | C15H20O3 | 248.32 | CC1CC2C(CC(=O)C3=COC(=C23)C1O)C(C)C | |
| TCMBANKIN037590 | (5S,6S,7S,8R)-2-(2-Phenylethyl)-6,7,8-tri-hydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)chromonyl-6-oxy]chromone (AH14) | (5s,6s,7s,8r)-2-(2-phenylethyl)-6,7,8-trihy-droxy-5,6,7,8-tetrahydro-5-[2-(2-phenylethyl)chromonyl-6-oxy]chromone (ah14); (5s,6s,7s,8r)-2-(2-phenylethyl)-6,7,8-trihy-droxy-5,6,7,8-tetrahydro-5-[2-(2-phenylethyl)chromonyl-6-oxy]chromone(ah14); (5s,6s,7s,8r)-2-(2-phenylethyl)-6,7,8-tri-hydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)chromonyl-6-oxy]chromone(ah14) | C34H30O8 | c1([H])c([H])c([H])c([H])c(C([H])([H])C([H])([H])C2=C([H])C(=O)C([C@]([H])(Oc3c([H])c([H])c(OC(C([H])([H])C([H])([H])c4c([H])c([H])c([H])c([H])c4[H])=C([H])C5=O)c5c3[H])[C@@]([H])(O[H])[C@]([H])(O[H]) [C@@]6([H])O[H])=C6O2)c1[H] | |
| TCMBANKIN038036 | (-)-guaia-1(10),11-dien-15,2-olide | 234.334 | CC1CC2C3C1CC(CCC3C(=O)O2)C(=C)C | ||
| TCMBANKIN038729 | Pheophytin b | 885.18 | |||
| TCMBANKIN038891 | (+)-selina-3,11-dien-9-ol | C15H24O | 220.35 g/mol | CC1=CCCC2(C1CC(CC2O)C(=C)C)C | |
| TCMBANKIN039345 | LOLIOLIDE | (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one; 1,3-Dihydroxy-3,5,5-trimethylcyclohexylidene-4-acetic acid lactone; (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one; loliolide; 11028-27-6; 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6S-cis)-; NSC 289632 | C11H16O3 | 196.24 | CC1(CC(CC2(C1=CC(=O)O2)C)O)C |
| TCMBANKIN040879 | 5β,6-dihydrosamaderine a | C18H20O6 | CC1=CC(=O)C2(C1CC(=O)C34C2C(C5C(C3C(=O)O5)(OC4)C)O)C | ||
| TCMBANKIN041318 | 6-Hydroxy-2-methyl-5-(5'-hydroxy-1'(R),5'-dimethylhex-3'-enyl)-phenol | ||||
| TCMBANKIN042446 | (+)-Methyl selina-4,11-dien-14-oate | methyl 4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalene-1-carboxylate; AC1NSYLA | C16H24O2 | 248.361 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])C2([H])[H])C2=C(C(OC([H])([H])[H])=O)C1([H])[H] |
| TCMBANKIN042874 | baimuxinal | CTK3E8697; AC1L360E; 3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde; 86408-21-1; Spiro(4.5)dec-6-ene-6-carboxaldehyde, 2-(1-hydroxy-1-methylethyl)-10-methyl-; 2-(2-HYDROXYPROPAN-2-YL)-10-METHYLSPIRO[4.5]DEC-6-ENE-6-CARBALDEHYDE; Baimuxinal | C15H24O2 | 236.35 | CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O |
| TCMBANKIN042942 | Pheophytin a | 871.2 | |||
| TCMBANKIN044899 | Methyl 11α-hydroxytormentate | methyl 11alpha-hydroxytormentate; AC1NSYG4; methyl (12aS)-1,10,11,13-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | |||
| TCMBANKIN045210 | 6-hydroxy-2-[2-(4'-methoxyphenyl)-ethyl] chromone | 6-hydroxy-2-[2-(4'-methoxyphenyl)ethyl]chromone | 292.372 | ||
| TCMBANKIN045848 | (+)-selina-3,11-dian-9-one | 218.335 | |||
| TCMBANKIN045922 | indole | Benzopyrrole; Indol; W259306_ALDRICH; ZINC00895236; INDOLE BENZO-PYRROLE; 783272-65-1; 1H-Indole (9CI); 1H-Indole-1-cation; Benzo[b]pyrrole; 2,3-Benzopyrrole; 2,3-Benzopyrole; NSC 1964; CHEBI:16881; Indole (natural); 1H-Benzo[b]pyrrole; CCRIS 4421; InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9; KB-274206; 1H-indol-1-ium; 1H-Indol-1-iumyl; 269077_ALDRICH; NSC1964; 1-Azaindene; SB 00587; 442619_SUPELCO; Ketole; SIKJAQJRHWYJAI-UHFFFAOYSA-O; AC1NC5DJ; INDOLE; AI3-01540; Indol [German]; 57190_FLUKA; 1-Benzo(b)pyrrole; LS-2832; WLN: T56 BMJ; IND; Caswell No. 498B; EINECS 204-420-7; 1-Benzazole; 1H-Indole; EPA Pesticide Chemical Code 025000; FEMA No. 2593; HSDB 599; 120-72-9; Indole (8CI); C00463; I3408_ALDRICH; indolium | C8H7N | 117.148 | n1([H])c(c([H])c([H])c([H])c2[H])c2c([H])c1[H] |
| TCMBANKIN046138 | alpha-agarofuran | alpha-Agarofuran; α-agarofuran; Α- agarofuran; 5956/12/7; SCHEMBL17627627 | C15H24O | 220.35 g/mol | CC1=CCCC2(C13CC(CC2)C(O3)(C)C)C |
| TCMBANKIN046190 | agarospirol | AC1L6CVK; ICWHTQRTTHCUHW-UHFFFAOYSA-N; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol; 23811-08-7; NSC-152472; NSC152472; Agaruspirol; AC1Q76LW; CTK5A9809; 59331-07-6; 2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol; Hinesol; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol #; 2-{6,10-DIMETHYLSPIRO[4.5]DEC-6-EN-2-YL}PROPAN-2-OL | C15H26O | 222.37 | CC1CCC=C(C12CCC(C2)C(C)(C)O)C |
| TCMBANKIN046381 | trans-1,7-Diphenyl-1-hepten-5-ol | trans-1,7-diphenyl-1-hepten-5-ol; 1,7-diphenyl-5-hydroxy-1-heptene | 266.4 g/mol | ||
| TCMBANKIN046651 | benzylacetone | NSC813; ZINC01587606; 1-Phenyl-3-butanone; Benzyl acetone; NCGC00090923-01; benzyl acetone; BRN 1907123; beta-Phenylethyl methyl ketone; B16003_ALDRICH; NSC 813; 4-07-00-00713 (Beilstein Handbook Reference); NSC 44829; Methyl phenethyl ketone; EINECS 219-847-4; Phenethyl methyl ketone; Methyl 2-phenylethyl ketone; 2550-26-7; 2-Butanone, 4-phenyl-; benzylacetone; Methyl phenylethyl ketone; 4-Phenylbutan-2-one; NSC44829; AI3-15123; 4-Phenyl-2-butanone | C10H12O | 148.202 | O=C(C([H])([H])[H])C([H])([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] |
| TCMBANKIN047105 | dehydrojucabione | 264.36 | |||
| TCMBANKIN047216 | dihydrokaranone | (?)-Dihydrokaranone; (4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one; (4aR,5S)-3-isopropylidene-4a,5-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one; dihydrokaranone; 19598-45-9 | C15H22O | 218.335 | C1(=O)\C(=C(/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[C@@]2(C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])[H])=C1[H] |
| TCMBANKIN047278 | jinkohol i | C15H26O | |||
| TCMBANKIN048328 | Kuwanone G | SCHEMBL16362642; ALBANIN F; Kuwanone G; 2-(2,4-dihydroxyphenyl)-8-[5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)carbonyl]-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one; AC1NYHC0; 8-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one; moracenin b | C40H36O11 | 692.7 g/mol | c1([C@@]2([H])C([H])=C(C([H])([H])[H])C([H])([H])[C@@]([H])(c3c([H])c([H])c(O[H])c([H])c3O[H])[C@@]2(C(=O)c4c(O[H])c([H])c(O[H])c([H])c4[H])[H])c(OC(c5c([H])c([H])c(O[H])c([H])c5O[H])=C(C([H])([H])\C( [H])=C(/C([H])([H])[H])\C([H])([H])[H])C6=O)c6c(O[H])c([H])c1O[H] |
| TCMBANKIN048341 | (+)-guaia-1(10),11-dien-9-one | 6,10-Dimethyl-3-(1-methylethenyl)bicyclo[5.3.0]dec-6-en-5-one; AC1NSW3I; YMXAKLYWISOQCM-UHFFFAOYSA-N; 1,4-dimethyl-7-prop-1-en-2-yl-2,3,6,7,8,8a-hexahydro-1H-azulen-5-one | C15H22O | 218.33 g/mol | CC1CCC2=C(C(=O)CC(CC12)C(=C)C)C |
| TCMBANKIN049378 | 1,3,6-Trihydroxy-2-methyl-9,10-anthra-quinone-3-O-(6'-O-acetyl)-beta-D-glucoside | 1,3,6-trihydroxy-2-methyl-9,10-anthra-quinone-3-o-(6'-o-acetyl)-β-d-glucoside | C23H22O11 | 474.414 | c12c(C(=O)c(c(O[H])c(C([H])([H])[H])c(O[C@]3([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])OC(=O)C([H])([H])[H])O3)c4[H])c4C1=O)c([H])c([H])c(O[H])c2[H] |
| TCMBANKIN050261 | (5s,6s,7r,8s)-2-(2-phenylethyl)-6,7,8-tri-hydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)-7-hydroxy-chromonyl-6-oxy]chromone (ah15) | (5s,6s,7r,8s)-2-(2-phenylethyl)-6,7,8-trihy-droxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)-7-hydroxy-chromonyl-6-oxy]-chromone(ah15); (5s,6s,7r,8s)-2-(2-phenylethyl)-6,7,8-tri-hydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenyl-ethyl)-7-hydroxy-chromonyl-6-oxy]chromone(ah15) | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC(=C(C=C3O2)O)OC4C(C(C(C5=C4C(=O)C=C(O5)CCC6=CC=CC=C6)O)O)O | ||
| TCMBANKIN057992 | betaine | Betaine; Aristolochic acid; EINECS 258-258-7; Betaine aspartate; carboxy-n,n,n-trimethylmethanaminium(3s)-3-amino-3-carboxypropanoate; TRIMETHYL GLYCINE (+)-ASPARTATE; AC1L2WMU; D07524; betaine hydrochloride; Somathl (TN); glycine betaine; (2S)-2-amino-4-hydroxy-4-oxobutanoate; carboxymethyl(trimethyl)azanium; aristolochic acid A; AC1Q5T26 | C5H11NO2 | 117.15 g/mol | C[N+](C)(C)CC(=O)[O-] |
| TCMBANKIN058186 | FA | F8798_SIAL; IDI1_000494; SPECTRUM1502020; KBio1_000494; Folsaure; Acifolic; Prestwick3_000627; Folipac; PGA (VAN); Folsaeure; InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s; Novofolacid [Canada]; KBio2_006997; Folaemin [Netherlands]; Foldine [France]; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-; Liver Lactobacillus casei factor; ARONIS014410; Cytofol; Folicet; Foliamin; Folcidin (VAN); Folcidin; Nifolin [Denmark]; Pteroylmonoglutamic acid; L-glutamic acid, N-[4-[[(2-amino-4,8-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-; N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid; Antianemia factor; KBioSS_001861; Folico (Italy); Spectrum4_001751; 4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-; C00504; CAS-59-30-3; L-Glutamic acid, N-(4-((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-; BPBio1_000654; Pteroylmonoglutamate; Pteroyl-L-monoglutamic acid; DivK1c_000494; Folbal; Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)methyl)amino)benzoyl)-, L; Folic acid [BAN:INN:JAN]; FOL; KBio2_001861; BSPBio_002338; Glutamic acid, pteroyl-, l-; BSPBio_000594; F8758_SIGMA; Vitamin B11; N-(4-(((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzo- yl)-L-glutamic acid; Vitamin M; CHEBI:27470; KBio2_004429; Folettes; NCGC00016265-01; Vitamin B9; 47620_FLUKA; (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid; Factor U; Acidum folicum [INN-Latin]; Spectrum2_001459; Folate; Vitamin Be; Incafolic; Acide folique [INN-French]; Pteroyl-L-glutamic acid; Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-; HSDB 2002; N-(p-(((2-Amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid; D00070; Spectrum3_000749; Folasic (Australia); Mittafol; SMP2_000137; N-(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid; NINDS_000494; Kyselina listova [Czech]; F8890_SIGMA; 59-30-3; AI3-26387; Acido folico [INN-Spanish]; NCGC00142391-01; (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; Folsav; Folic acid (JP15/USP/INN); KBioGR_002222; Folicet (TN); Folan; CCRIS 666; PteGlu; KBio3_001558; EINECS 200-419-0; Mission Prenatal; Folacid; Spectrum_001381; Folic acid; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzo- yl)-; Vitamin Bc; Spectrum5_000602; 33609-88-0; SDCCGMLS-0066738.P001; (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid; SPBio_001357; N-(4-((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid; Folacin; N-pteroyl-L-glutamic acid; Folina (Italy); 01769_FLUKA; Prestwick_230; Acfol (Spain); F7876_SIAL; (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; Folvite; Millafol; Facid | C19H19N7O6 | 441.4 | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
| TCMBANKIN058264 | Skimmetin | Hydrangin; AI3-38054; ACon1_000219; Coumarin, 7-hydroxy-; SPBio_002083; H24003_ALDRICH; EINECS 202-240-3; CCRIS 3591; MEGxp0_000814; 7-hydroxy-2H-1-benzopyran-2-one; 7-hydroxy-2-chromenone; BSPBio_002362; NSC19790; 7 HC; Spectrum2_001962; Hydrangine; NSC 19790; ST5308216; 93979_FLUKA; 5-18-01-00386 (Beilstein Handbook Reference); NCGC00095801-01; Skimmetine; BRN 0127683; SPECTRUM231084; beta-umbelliferone; 7-Hydroxycoumarin; Umbelliferon; 7-hydroxy-2H-chromen-2-one; CHEBI:27510; AIDS-005662; Umbelliferone; .beta.-Umbelliferone; Spectrum3_000751; 2H-1-Benzopyran-2-one, 7-hydroxy-; 7-Oxycoumarin; C09315; ZINC00058111; 7-hydroxychromen-2-one; NCI60_001646; 93-35-6; InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10; SDCCGMLS-0066941.P001; AIDS005662; KBio3_001582 | C9H6O3 | 162.14 | C1=CC(=CC2=C1C=CC(=O)O2)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 | |
| TCMBANKIN058293 | BOX | FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid | C7H6O2 | 122.12 | C1=CC=C(C=C1)C(=O)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 |
| TCMBANKIN058340 | Trans-1,7-diphenyl-1-hepten-5-ol | trans-1,7-diphenyl-1-hepten-5-ol; 1,7-diphenyl-5-hydroxy-1-heptene;trans-1,7-diphenyl-1hepten-5-ol;trans-1,7-Diphenyl-1hepten-5-ol | C19H22O | 266.41 g/mol | C1=CC=C(C=C1)CCC(CCC=CC2=CC=CC=C2)O |
| TCMBANKIN058344 | agarotetrol(ah1) | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O | |||
| TCMBANKIN058345 | (5s,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-tri-hy-droxy-5,6,7,8-tetrahydro-8-[2-(2-phenylethyl)chromonyl-6-oxy]chromone (ah13) | (5r,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-tri-hydroxy-5,6,7,8-tetrahydro-8-[2-(2-phenyl-ethyl)chromonyl-6-oxy]chromone(ah13); (5s,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-tri-hy-droxy-5,6,7,8-tetrahydro-8-[2-(2-phenylethyl)chromonyl-6-oxy]chromone(ah13); (5r,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-tri-hydroxy-5,6,7,8-tetrahydro-8-[2-(2-phenyl-ethyl)chromonyl-6-oxy]chromone (ah13) | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3)OC4C(C(C(C5=C4OC(=CC5=O)CCC6=CC=CC=C6)O)O)O | ||
| TCMBANKIN058346 | 2-(2-phenylethyl) chromone | 2-(2-phenylethyl)chromone;Flindersiachromone;2-(2-phenylethyl)-4-chromenone; 2-(2-phenylethyl)chromen-4-one; C09007; Chromone, 2-(2-phenylethyl); 4H-1-Benzopyran-4-one, 2-(2-phenylethyl)-; | C17H14O2 | 250.29 g/mol | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2 |
| TCMBANKIN058353 | WLN: VHO2R;phenyl ethyl formate | Phenethyl formate (natural); 2-Fenylethylester kyseliny mravenci [Czech]; EINECS 203-220-7; FEMA No. 2864; AI3-18542; Benzyl carbinyl formate; W286400_ALDRICH; Phenylethyl formate; ST5409324; BRN 2044524; 2-phenylethyl methanoate; Benzeneethanol, formate; FORMIC ACID, PHENETHYL ESTER; Benzylcarbinyl formate; NSC 404456; Benzylcarbinyl methanoate; 2-Phenethyl formate; .beta.-Phenylethyl formate; NSC404456; 2-Phenethyl methanoate; 104-62-1; Phenyl ethyl formate; .beta.-Phenethyl formate; Phenethyl alcohol, formate (8CI); Phenethyl alcohol, formate; Phenethyl formate; 2-Phenylethyl formate; formic acid 2-phenylethyl ester; Formic acid, 2-phenylethyl ester | C9H10O2 | 150.17 g/mol | C1=CC=C(C=C1)CCOC=O |
| TCMBANKIN058355 | Aromatic alcohol | NSC 8044; Aromatic primary alcohol; HSDB 46; alpha-hydroxytoluene; benzyl alcohol; AIDS009274; AIDS-009274; CCRIS 2081; Alcohol bencilico [INN-Spanish]; (Hydroxymethyl)benzene; W213705_ALDRICH; AI3-01680; FEMA No. 2137; 4-06-00-02222 (Beilstein Handbook Reference); Hydroxytoluene; benzenemethanol; Benzyl alcohol (JP15/NF/INN); 24122_RIEDEL; 442481_SUPELCO; Phenolcarbinol; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; Euxyl K 100; .alpha.-Toluenol; BENZYL-ALCOHOL; Caswell No. 081F; BRN 0878307; Benzoyl alcohol; C00556; Benzal alcohol; 402834_SIAL; 100-51-6; 1336-27-2; LS-307; Phenylcarbinolum; Methanol, phenyl-; 305197_ALDRICH; NSC8044; c0278; Benzyl alcohol (natural); 185532-71-2; Benzenecarbinol; hydroxymethylbenzene; C03485; Alcool benzilico [DCIT]; NCI-C06111; TOLUENE,ALPHA-HYDROXY; 108006_ALDRICH; Benzylalkohol; alpha-Toluenol; 13160_FLUKA; Benzyl alcohol [USAN:INN:JAN]; EINECS 202-859-9; CHEBI:17987; Alcoholum benzylicum [INN-Latin]; EPA Pesticide Chemical Code 009502; phenylcarbinol; 34460_RIEDEL; .alpha.-Hydroxytoluene; Benzylicum; D00077; W213713_ALDRICH; alcoholum benzylicum; benzylalcohol; phenylmethanol; Phenylmethyl alcohol; benzylic alcohol; Alcool benzylique; Alcool benzylique [INN-French];benzyl alcohol;WLN: Q1R | C7H8O | 108.14 g/mol | C1=CC=C(C=C1)CO |
| TCMBANKIN058369 | α－ionone | 4-Hydroxycoumarin; 4-hyroxycoumarin; CHEMBL301141; WLN: T66 BOVJ EQ; 4-Hydroxy-2H-1-benzopyran-2-one; 4-Hydroxycoumarin, 98%; TRA-0204940; HMS1607G02; 22105-09-5; 4-Hydroxy-2H-chromen-2-one #; LS40467; RTC-020138; AK-49238; I14-4404; BG01501065; DB03410; Z56922074; 4-Hydroxycoumarin; NSC 11889; SR-01000389319; 1076-38-6; DB-014485; COUMARINOL; NCI60_000453; MolPort-000-294-754; MEGxm0_000452; VXIXUWQIVKSKSA-UHFFFAOYSA-N; SCHEMBL131312; 5-18-01-00378 (Beilstein Handbook Reference); A-9316; RP22489; 4-hydroxy-coumarin; 2-hydroxychromen-4-one; 4-Hydroxycoumarin, Vetec(TM) reagent grade, 98%; EINECS 214-060-2; AI3-52393; SC-00282; ANW-15833; TC-020138; 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-; NCGC00179970-01; 4-Hydroxy-chromen-2-one; NSC11889; 4-Coumarinol; SMR000112320; ST2418405; MLS004491719; 4-Hydroxy-2H-1-benzopyran-2-one (4-Hydroxycoumarin); ACon1_001952; BRD-K48844111-001-01-4; BG01501064; KSC175M9D; 4-hydroxychromen-2-one; 4-HYDROXY-1-BENZOPYRAN-2-ONE; Coumarin, 4-hydroxy- (8CI); TL8000267; BRN 0129768; 4-hydroxy-2H-benzo[b]pyran-2-one; BG00601083; AH-034/32464035; Coumarin, 4-hydroxy-; EBD2035794; LS-39686; AKOS000119142; 4-Hydroxy coumarin; 2-Hydroxychromone; BBL027616; 4-Hydroxycoumarine; BB 0220623; BB_NC-0709; ICCB4_000134; 4HC; 4-HYDROXYCOUMARINS; 4H-1-Benzopyran-4-one, 2-hydroxy-; ST50211285; 4-hydroxy-2-oxo-2H-1-benzopyran; AN-1038; MCULE-5951606896; FT-0660645; SCHEMBL1961365; ZINC96006086; 4-Hydroxy-2H-chromen-2-one; ACMC-1BO7V; CBiol_000838; AJ-70366; SR-01000389319-1; DTXSID8061472; PubChem8693; NSC-11889; AM84328; ZINC18154848; J-515519; UNII-X954ZLL2RD; 4-hydroxycoumarin (OLD); STK801816; AC1L234K; J-620003; F0266-2972; MFCD00006856; 4-Monohydroxycoumarin; 4- Hydroxycoumarin; KB-39170; STR01861; 4-hydroxy-2-chromenone; CHEBI:40070; AC-13227; hydroxychromone; X954ZLL2RD; BDBM50055710; FT-0602218; InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10; EU-0066799; C20414; Benzotetronic acid; SBB038533; AB0004657; CTK0H5691; 4-hydroxycoumarin | C9H6O3 | 162.14 | C1=CC=C2C(=C1)C(=CC(=O)O2)O |
| TCMBANKIN058374 | Indolyl acetic acid | 3-indolylaceticacid;Indole acetic acid;IES;heteroauxin;1H-Indole-3-acetic acid (9CI); beta-Indoleacetic acid; 54692-39-6; I8262_SIGMA; CHEBI:16411; 87-51-4; 1H-indol-3-ylacetic acid; CCRIS 1014; Heteroauxin; InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13; 1H-Indole-3-acetic-a-t acid (9CI); EPA Pesticide Chemical Code 128915; EU-0099905; Indole-3-acetic acid-carboxy-14C; Acetic acid, indolyl-; beta-Indolylacetic acid; I3750_ALDRICH; omega-Skatole carboxylic acid; 2-(1H-Indol-3-yl)acetic acid; .beta.-Indole-3-acetic acid; MLS001066408; I2886_SIGMA; C00954; Hexteroauxin; .beta.-Indolylacetic acid; Indol-3-ylacetic acid; Rhizopin; Indole-3-acetic acid (8CI); [3H]-IAA; NSC 3787; Indole-3-acetic-t acid; WLN: T56 BMJ D1VQ; 3-(Carboxymethyl)indole; .alpha.-Indol-3-yl-acetic acid; 45533_RIEDEL; (1H-Indol-3-yl)acetic acid; ST5308201; .omega.-Skatole carboxylic acid; Maybridge1_006755; IAA; SDCCGMLS-0066204.P001; beta-IAA; Indoleacetic acid (VAN); 3-IAA; 3-Indolylacetic acid; 6305-45-9; Indolyl-3-acetic acid; 3-Indolylessigsaeure; Oprea1_602123; indole-3-acetic acid; IAC; Rhizopon A; Kyselina 3-indolyloctova [Czech]; 2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole; 1H-Indole-3-acetic acid; 3-Indolylmethylcarboxylic acid; .beta.-IAA; AIDS009893; SMR000471855; SR-01000596909-2; EINECS 201-748-2; 2-(1H-indol-3-yl)ethanoic acid; alpha-IAA; Heteroauxinhexteroauxiniaa; .alpha.-IAA; indoleacetic acid; 2-(indol-3-yl)ethanoic acid; 3-Indoleacetic acid; NSC3787; .beta.-Indoleacetic acid; AIDS-009893; AI3-24131 | C10H9NO2 | 175.18 g/mol | C1=CC=C2C(=C1)C(=CN2)CC(=O)O |
| TCMBANKIN058436 | 2, 4-dihydroxy pyrimidine | NSC3970; C00106; 16908-84-2; U3879_SIGMA; 2,4-Pyrimidinediol; 2-hydroxy-4(3H)-pyrimidinone; 66-22-8; Pirod; 144104-68-7; SQ 7726; Uracil-2-14C; 2,4-Pyrimidinedione; 4433-21-0; D00027; 24897-50-5; U0750_SIGMA; AI3-25470; 766-19-8; U1128_SIGMA; SQ 8493; ST5165192; SQ 6201; 2-hydroxy-4(1H)-pyrimidinone; 2,4-Dioxopyrimidine; 1H-pyrimidine-2,4-dione; Urazil; Pyrod; EINECS 200-621-9; Hybar X; Uracil (JAN/USAN); CHEBI:17568; 6-(3,5-Dimethylbenzyl)-5-ethyl-1-[4-(13-ethyl-17-hydroxy-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ylethynyl)benzyloxymethyl]uracil; Uracil-5-d; NCIMech_000782; AC-907/30002021; 2,4-Dihydroxypyrimidine; 42910-77-0; NSC 3970; NSC29742; ZINC00895045; STK301734; AIDS009895; Uracil (8CI); URACIL; Uracil [USAN]; 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[4-[2-(13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethynyl]phenyl]methoxymethyl]pyrimidine-2,4-dione; pyrimidine-2,4(1H,3H)-dione; 4433-24-3; 2,4-(1H,3H)-pyrimidinedione (9CI); CCRIS 3077; RU 12709; Ura; 2,4(1H,3H)-Pyrimidinedione; BMS 205603-01; InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8; 2,4(1H,3H)-Pyrimidinedione (9CI); NCI60_003718; 4-hydroxy-2(1H)-pyrimidinone; 2,4(1H,3H)-Pyrimidinedione, labeled with tritium; AIDS-009895 | C4H4N2O2 | 112.09 g/mol | C1=CNC(=O)NC1=O |
| TCMBANKIN058470 | NOJ | 19130-96-2; AIDS-000139; Bio1_001393; BSPBio_000993; 1-DEOXYNOJIRIMYCIN; DNM; Bio1_000415; NCGC00025085-02; 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-; Bio1_000904; 1-Deoxymannojirimycin; 1,5-Dideoxy-1,5-imino-D-glucitol; (2R,3R,4R,5S)-2-Hydroxymethyl-piperidine-3,4,5-triol; (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol; AIDS000139; SMP2_000333; 70956-02-4; 1,5-Deoxy-1,5-imino-D-mannitol; 73285-50-4 (HCL); (2R,3R,4R,5S)-2-methylolpiperidine-3,4,5-triol; 1-DEOXY-NOJIRIMYCIN; DNJ; 3gbe; 2jke; 3gxt; 2pwd; 1- deoxynojirimycin; 1-deoxynojirimycin; 3qfz; 4iid; 1-deoxynojirimycin; 1-deoxynojirimicin | C6H13NO4 | 163.17 g/mol | C1C(C(C(C(N1)CO)O)O)O |
| TCMBANKIN058615 | Cyclohexane | cyclohexane; 154741_SIAL; Benzenehexahydride; Hexanaphthene; Benzene, hexahydro-; Cyclohexane, reaction product with oxygen, nonvolatile residue; 33117_RIEDEL; 68411-76-7; HSDB 60; Cyclohexane, oxidized, non-volatile residue; 227048_ALDRICH; Hexamethylene; Cicloesano [Italian]; Cykloheksan [Polish]; AI3-08222; 676861_ALDRICH; 34496_RIEDEL; UN1145; Cykloheksan; Cyclohexaan [Dutch]; Caswell No. 269; InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H; Cyclohexaan; ghl.PD_Mitscher_leg0.242; RCRA waste number U056; EPA Pesticide Chemical Code 025901; NSC 406835; EINECS 203-806-2; 28935_FLUKA; RCRA waste no. U056; Poly(cyclohexane); NSC406835; Cicloesano; EINECS 270-147-5; Cyclohexane; 15329_RIEDEL; Polycyclohexane; 28920_FLUKA; 110-82-7; Cyclohexan [German]; hexahydro-Benzene; 25012-93-5; WLN: L6TJ; 650455_ALDRICH; LS-516; 28918_FLUKA; Zyklohexan; c0941; CCRIS 3928; Cyclohexan; Hexahydrobenzene; 34855_SIAL; Cyclohexane [UN1145] [Flammable liquid]; 179191_SIAL; C11249; 442531_SUPELCO; Cyclohexane, homopolymer; CHEBI:29005; CHX | C6H12 | 84.16 g/mol | C1CCCCC1 |
| TCMBANKIN058637 | fagomine | 475630-67-2; 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2S,3S,4R)- (9CI); CHEMBL1818436; AKOS027407919; (+)-1,2-Dideoxygalactostatine; BDBM50350760; AK450766; (2S,3S,4R)-2-(hydroxymethyl)piperidine-3,4-diol; FAG; 53185-12-9; 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2R,3R,4R)-; (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol; C10144; (2R,3R,4R)-2-methylolpiperidine-3,4-diol; AIDS-001131; Fagomine; 1,2,5-Trideoxy-1,5-imino-D-arabino-hexitol; D-arabino-Hexitol, 1,2,5-trideoxy-1,5-imino-; AIDS001131 | C6H13NO3 | 147.17 g/mol | C1CNC(C(C1O)O)CO |
| TCMBANKIN058658 | Micheline B | CCRIS 1549; Oxoushinsunin; C09567; 475-75-2; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one; Spermatheridin; NCI60_001798; MEGxp0_001521; BRN 0273167; Spermatheridine; Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-(methylenedioxy)-; NSC93681; NSC215254; Liriodenine; Oxoushinsunine; NSC 215254; 8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one; Ushinsunine, oxo-; NORAPORPHIN-7-ONE, 4,5,6,6a-TETRAHYDRO-1,2-(METHYLENEDIOXY)-; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one (9CI); AIDS-008761; AIDS008761; NCI60_042088; NSC 93681; 4-27-00-06585 (Beilstein Handbook Reference) | C17H9NO3 | 275.26 g/mol | C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53 |
| TCMBANKIN058679 | norkurarinol | norkurarinol ; Norkurarinol; CHEMBL454647 | C25H30O7 | 442.5 g/mol | CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O |
| TCMBANKIN058704 | lupeol | AC-1371; AKOS015960466; SCHEMBL14067725; 4CN-0933; C08628; BC201808; Lup-20(29)-en-3.beta.-ol; NSC90487; ZINC04081455; D0RA6H; Lupeol; LMPR01060013; lupeol ; Monogynol B; .beta.-Viscol; NCI60_042005; lup-20(29)-en-3beta-ol; Lupenol | C30H50O | 426.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| TCMBANKIN058715 | (-)-methyl selina-3,11-dien-14-oate | (?)-methyl selina-3,11-dien-14-oate | C16H24O2 | CC(=C)C1CCC2(CCC=C(C2C1)C(=O)OC)C | |
| TCMBANKIN058961 | p-methoxybenzylacetone | SR-01000944748-1; 65161_FLUKA; OR13500; CHEMBL3184371; 4-(4-Methoxyphenyl)-2-butanone, >=98%, FCC, FG; AN-24670; p-Methoxybenzylacetone; W-108822; FT-0616645; 4-(4-Methoxyphenyl)-2-butanone; CAS-104-20-1; SBB002546; NSC405366; Tox21_113654; Rasberry ketone methyl ether; AKOS000120662; Anisylacetone; 4-(4-Methoxyphenyl)-2-butanone, analytical standard; 1-(p-Methoxyphenyl)-3-butanone; Methyl oxanone; Methoxybenzylacetone, p-; ZINC1235108; 4-(p-Methoxyphenyl)-2-butanone (natural); Jsp000420; AC1L1UCC; AI3-20279; BRN 1869592; 4-Methoxybenzylacetone; GVG47S4S5V; FEMA No. 2672; LS-2896; NCGC00255063-01; ZX-AT014618; 2-Butanone, 4-(p-methoxyphenyl)- (6CI,7CI,8CI); PCBSXBYCASFXTM-UHFFFAOYSA-N; p-Methoxyphenylbutanone; RT-002825; 4-(4-Methoxyphenyl)-2-butanone, 98%; M19600_ALDRICH; AK163318; 2-BUTANONE, 4-(4-METHOXYPHENYL)-; CC-16593; BB_NC-2171; ACMC-2098b8; VF10076; DB-003441; 2-Butanone, 4-(p-methoxyphenyl)-; KB-34461; 4-(4-methoxy-phenyl)-butan-2-one; M0756; C-24497; EINECS 203-184-2; NSC 405366; FEMA 2672; ZINC01235108; Anisylacetone, p-; I01-5625; 1-(4-Methoxyphenyl)-3-butanone; DSSTox_GSID_47166; 4-(4-Methoxyphenyl)butan-2-one; DSSTox_CID_27166; NCGC00248312-02; ST092728; ANW-15042; ZB016111; KSC496A2J; DTXSID5047166; MFCD00008791; BBV-46872299; Tox21_301165; SCHEMBL1334; DSSTox_RID_82167; BBL027730; 1-(p-Methoxyphenyl)-3-butanone-; AC1Q4CHA; STL146341; ENT 20,279; CTK3J6024; MCULE-5951016256; ANISYL ACETONE; CJ-04791; 4-(4-methoxyphenyl)-butan-2-one; Raspberry ketone methyl ether; L571; Anisyl acetone; MolPort-001-758-492; BG00601893; SR-01000944748; NSC-405366; 104-20-1; ZERO/005545; KS-00000UOD; AX8017381; 4-(p-Methoxyphenyl)-2-butanone; UNII-GVG47S4S5V; W267201_ALDRICH; BB_NC-02171; NCGC00248312-01; ST24042959 | C11H14O2 | 178.23 g/mol | CC(=O)CCC1=CC=C(C=C1)OC |
| TCMBANKIN058986 | 5alpha,6beta,7beta,8alpha-tetraacetoxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydro-chromone ah1a) | 5α,6β,7β,8α-tetraacetoxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydro-chromone | CC(=O)OC1C(C(C2=C(C1OC(=O)C)C(=O)C=C(O2)CCC3=CC=C(C=C3)OC)OC(=O)C)OC(=O)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 |
| TCMBANKIN059231 | (4 e,6 e,12e)-3-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-1,14-diol | C19H24O4 | CC(C)CC(=O)OC(CCO)C=CC=CC#CC#CC=CCO | ||
| TCMBANKIN059240 | Isovaleral | Aldehyde isovalerianique [French]; Isopentanal; beta-Methylbutanal; 2-Methylbutanal-4; C07329; 3-Methyl butyraldehyde; 3-Methylbutanal; Isovaleric aldehyde; 1-Butanal, 3-methyl-; Isopentaldehyde; W269212_ALDRICH; Isoamyl aldehyde; WLN: VH1Y1&1; 4-01-00-03291 (Beilstein Handbook Reference); 59820_FLUKA; Butanal, 3-methyl-; beta-Methylbutyraldehyde; InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H; .beta.-Methylbutanal; 3-Methylbutylaldehyde; 590-86-3; EINECS 209-691-5; 3-Methylbutyraldehyde (natural); NSC 404119; BRN 0773692; Butanal, methyl-; CCRIS 2945; NSC404119; Isoamylaldehyde; ZINC00896832; iso-C4H9CHO; W269204_ALDRICH; FEMA No. 2692; AI3-16106; HSDB 628; Isovalerylaldehyde; 3-Methylbutan-1-al; 3-Methylbutyraldehyde; 146455_ALDRICH; CHEBI:16638; 3-Methyl-1-butanal; 26140-47-6; Isovaleraldehyde; Butyraldehyde, 3-methyl-; Butanal,- methyl-; Butanal, 3- methyl-; isovaleraldehyde; 3-methyl butanal | C5H10O | 86.13 | CC(C)CC=O |
| TCMBANKIN059249 | CLR | 5-Cholesten-3b-ol; Hydrocerin; 5:6-Cholesten-3beta-ol; 209124-38-9; Lidinite; 5:6-Cholesten-3.beta.-ol; Tegolan (VAN); C1231_SIGMA; 3-beta-Hydroxycholest-5-ene; Delta5-Cholesten-3beta-ol; C3292_SIGMA; (3H)-Cholesterol; 20808_RIEDEL; S5442_SIGMA; Cholest-5-en-3-ol, (3-.beta.)-; Super hartolan; Cholesterol (JP15/NF); AIDS338945; 5:6-Cholesten-3-ol; nchembio782-comp1; 3beta-Hydroxy-5-cholestene; delta(sup 5)-Cholesten-3-beta-ol; Dusoline; CHOLESTEROL; D00040; C00187; Provitamin D; Wool alcohols B. P.; Cholest-5-en-3-ol, (3beta)-; Synthetic cholesterol; Dythol; CMC_13392; HSDB 7106; 3beta-Hydroxycholest-5-ene; Cordulan; 5,6-Cholesten-3.beta.-ol; Cholest-5-en-3.beta.-ol; 57-88-5; Kathro; Dusoran; (3beta)-cholest-5-en-3-ol; WLN: L E5 B666 LUTJ A1 E1 FY1&3Y1&1 OQ; 3.beta.-Hydroxycholest-5-ene; 26740_FLUKA; Cholesterol base H; Cholest-5-en-3-ol (3beta)-, labeled with tritium; NCGC00159351-02; 80356-14-5; Cholest-5-en-3-ol, (3.beta.)-; Cholestrin; 5-Cholesten-3beta-ol; ZINC03875383; 218965-24-3; 26732_FLUKA; Cholesterin; C8667_SIGMA; 22243-67-0; Lidinit; Phospholipon & Cholesterol; CHEBI:16113; SyntheChol NS0 Supplement; NSC 8798; nchembio.77-comp1; AI3-03112; Lanol; Cholestrol; AIDS080405; Cholest-5-en-3-ol (3beta)-; 5-Cholesten-3.beta.-ol; SyntheChol; NSC8798; Cholesterol solution; Cholesterol [USAN:JAN]; Nimco cholesterol base H; C8503_SIGMA; BB_NC-0135; SMP1_000069; C3137_SIGMA; Cholesterine; 47127U_SUPELCO; Cholest-5-en-3-beta-ol; Nimco cholesterol base No. 712; AIDS-338945; Cholesteryl alcohol; C3045_SIGMA; 14606_FLUKA; Soya phospholipon & Cholesterol (2:1 molar ratio); AIDS-080405; LMST01010001; CCRIS 2834; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Cholest-5-en-3beta-ol; Cholesterol (TN); EINECS 200-353-2; Tegolan;cholesterol;8(14)-dehydrocholesterol; 177962-82-2; SCHEMBL5347436; cholesta-5,8(14)-dien-3beta-ol; DJNCIOAUQVURTQ-RQZUOROGSA-N | C27H46O | 386.65 | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| TCMBANKIN059290 | 19-(r)-hydroxydihydrogelsemine | 19-(r)-hydroxydihydrokoymine | C20H24N2O3 | 340.4 g/mol | CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6NC4=O)C)O |
| TCMBANKIN059551 | 2H-3,9a-Methano-1-benzoxepin-9-methanol, octahydro-2,2,5a-trimethyl-, (3R-(3alpha,5aalpha,9alpha,9aalpha))- | C15H26O2 | 238.37 | CC1(C2CCC3(CCCC(C3(C2)O1)CO)C)C | |
| TCMBANKIN059653 | (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one | C11H16O2 | 180.24 | CC1(CCCC2(C1=CC(=O)O2)C)C | |
| TCMBANKIN059711 | beta carotene | C40H56 | 536.87 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C | |
| TCMBANKIN059811 | guaiazulene | C15H18 | 198.3 g/mol | CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C | |
| TCMBANKIN059825 | (?)-(1r*,5s*,6r*,7s*,10s*)-myli-4(15)-ene | C15H22 | CC1=C2CCC(=C)C2C3C(C3(C)C)CC1 | ||
| TCMBANKIN059884 | blumenol a | C13H20O3 | 224.3 g/mol | CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C | |
| TCMBANKIN060033 | (+)-selina-3,11-dien-9-ol | C15H24O | 220.35 g/mol | CC1=CCCC2(C1CC(CC2O)C(=C)C)C | |
| TCMBANKIN060433 | gmelofuran;gmeloiuran | C15H18O3 | 246.3 g/mol | CC1CC2C(CC(=O)C3=COC(=C23)C1=O)C(C)C | |
| TCMBANKIN060464 | epoxyguaine | C15H24O | CC1CCC(CC23C1(O2)CCC3C)C(=C)C | ||
| TCMBANKIN060470 | jinkoheremol;kusunol | C15H26O | 222.37 g/mol | CC1CCC=C2C1(CC(CC2)C(C)(C)O)C | |
| TCMBANKIN060562 | (-)-guaia-1(10),11-dien-16-carboxylic acid | C15H22O2 | CC1CCC2=C(CCC(CC12)C(=C)C)C(=O)O | ||
| TCMBANKIN060563 | (-)-Guaia-1(10),11-dien-15-al | C15H22O | 218.33 g/mol | CC1CCC2=C(CCC(CC12)C(=C)C)C=O | |
| TCMBANKIN060564 | (-)-guaia-1(11),11-dien-15-al | CC1CCC2=C(CCC(CC12)C(=C)C)CO | |||
| TCMBANKIN060570 | (-)-1,10-epoxy-guaia-11-ene | C15H24O | CC1CCC23C1CC(CCC2(O3)C)C(=C)C | ||
| TCMBANKIN060602 | Dihydro-β-agarofuran | C15H26O | 222.37 | CC1CCCC2(C13CC(CC2)C(O3)(C)C)C | |
| TCMBANKIN060790 | leaf aldehyde | C6H10O | 98.14 g/mol | CCCC=CC=O | |
| TCMBANKIN060795 | Butal | C4H8O | 72.11 g/mol | CCCC=O | |
| TCMBANKIN060827 | Valeraldehyde | C5H10O | 86.13g/mol | CCCCC=O | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060891 | 2-Amyl furan | C9H14O | 138.21 g/mol | CCCCCC1=CC=CO1 | |
| TCMBANKIN061352 | longatin | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; NSC121869; SMR000059119; (S,R)-Noscapine; C09592; STK054401; BSPBio_000346; 128-62-1; AIDS011873; (3S)-3-[(5R)-6-methyl-4-(methyloxy)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-bis(methyloxy)-2-benzofuran-1(3H)-one; Lopac0_000840; Tocris-1697; Noscapine (TN); alpha-Narcotine; .beta.-Narcotine; alpha-narcotine; EINECS 204-899-2; Noscapine [BAN:INN:JAN]; Coscopin (VAN); L-alpha-Narcotine; 4-27-00-06838 (Beilstein Handbook Reference); 1368-39-4; Lopac-N-9007; 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)-isoquinolin-5-yl),(S-(R*,S*))-; L-alpha-Noscapine; CAS-128-62-1; BRN 0099933; BSPBio_002113; SDCCGMLS-0066644.P001; 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-,(S-(R*,S*))-; HSDB 3372; KBio2_004117; TNP00110; SPBio_001053; (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; NCGC00017174-02; 567-86-2; KBio2_006685; Spectrum5_001276; (-)-alpha-Norcotine; NCGC00017174-01; KBioGR_000872; Spectrum2_000987; (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; Noscapinum [INN-Latin]; NCGC00015757-01; Spectrum_001069; KBio3_001613; ST055757; (-)-Narcotine; Spectrum3_000527; 8-Methoxyhydrastin; 5-(6,7-Dimethoxyphthalidyl)-5,6,7,8-tetrahydro-4-methoxy-8-methyl-1,3-dioxolo(4,5-g)isoquinoline; L-alpha-2-Methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinaline; TNP00034; KBio2_001549; Spectrum4_000456; Longactin; 8057-19-0; Noscapina [INN-Spanish]; KBioSS_001549; (-)-3-(2-Methyl-6,7-methylendioxy-8-methoxy-1-isochinolyl)-6,7-dimethoxyphthalid; NCGC00016388-01; Narcotine (8CI); 8055-18-3; NCGC00023230-02; AIDS-011873; D01036; CBMicro_048259; SPBio_002565; BIM-0048054.P001; NCI60_004322; Prestwick1_000563; Prestwick3_000563; (-)-.alpha.-Narcotine; Prestwick_959; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; MLS000069475; 363960_ALDRICH; BPBio1_000382; Coscopin; Methoxyhydrastine; Prestwick0_000563; Prestwick2_000563; Noscapine (JP15/USP/INN); AC1NSW29; 5-[(1S)-4,5-dimethoxy-3-methylidene-1H-2-benzofuran-1-yl]-4-methoxy-6,9-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline; narcotine; Noscapine; gnoscopine; Noskapin; α-narcotine | C22H23NO7 | 413.42 g/mol | CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 |
| TCMBANKIN061371 | nicotine | 36733_RIEDEL; 2yk1; CHEBI:59806; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium; (S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE; D03365; 54-11-5; NCGC00090693-03; 46343_RIEDEL; C00745; Nicotine; NCGC00090693-04; AIDS-156031; 65-31-6 (R,R-BITARTRATE); (2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine; (S)-3-(N-methylpyrrolidin-2-yl)pyridine; Habitrol (TN); SBB012359; N5511_SIGMA; (−)-Nicotine; Nicotine (compounds related to); PDSP2_000555; NCT; N3876_SIGMA; 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine; NCGC00090693-01; ZB012057; (S)-(-)-nicotine; CHEBI:17688; SDCCGMLS-0066911.P001; (S)-nicotinium(1+); AC1OCG5J; 3-(2-(N-methylpyrrolidinyl))pyridine; NSC97238 (R,R-BITARTRATE SALT); 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine; (S)-nicotinium cation; AIDS156031; NCGC00090693-05; PDSP1_000465; PDSP1_000113; PDSP2_000463; (S)-3-(1-methylpyrrolidin-2-yl)pyridine; Nicotine (USP); 54-11-5 (FREE BASE); L(-)-nicotine; (−)-Nicotine solution | C10H14N2 | 162.23 g/mol | CN1CCCC1C2=CN=CC=C2 |
| TCMBANKIN061528 | scopoletin | NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol | C10H8O4 | 192.17 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
| TCMBANKIN061538 | (5s,6s,7r,8s)-2-(2-phenylethyl)-5,6,7-trihy-droxy-5,6,7,8-tetrahydro-8-[2-(2-phenyl-ethyl)-7-methoxychromonyl-6-oxy]chromone(ah12) | (5s,6r,7r,8s)-2-(2-phenylethyl)-5,6,7-trihydroxy-5,6,7,8-tetrahydro-8-[2-(2-phenylethyl)-7-methoxychromonyl-6-oxy]chromone (ah12) | COC1=C(C=C2C(=C1)OC(=CC2=O)CCC3=CC=CC=C3)OC4C(C(C(C5=C4OC(=CC5=O)CCC6=CC=CC=C6)O)O)O | ||
| TCMBANKIN061552 | Isoscopoletin;6-Hydroxy-7-methoxy-2H-chromen-2-one;6-hydroxy-7-methoxy coumarin;6-hydroxy-7-methylcoumarin | 6-Hydroxy-7-methoxy-2-benzopyrone; isoscopoletin ; 6-hydroxy-7-methoxychromen-2-one; Esculetin 7-methyl ether; 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-; 776-86-3; 6-hydroxy-7-methoxy-chromen-2-one; 7-Methyl esculetin; ST5331501; isoscopoletin; 6-hydroxy-7-methoxy-coumarin; NCGC00163577-01; AIDS026314; 6-Hydroxy-7-methoxycoumarin; 17795_FLUKA; AIDS-026314; EINECS 212-282-4; 7-Methoxyesculetin; 6-hydroxy-7-methoxy-2-chromenone | C10H8O4 | 192.17g/mol | COC1=C(C=C2C=CC(=O)OC2=C1)O |
| TCMBANKIN061714 | 1,6-Dihydroxy-2,4-dimethoxyanthraquinone | 142878-33-9; 1,6-Ddma; 9,10-Anthracenedione, 1,6-dihydroxy-2,4-dimethoxy-; 1,6-dihydroxy-2,4-dimethoxyanthracene-9,10-dione; 1,6-dihydroxy-2,4-dimethoxy-9,10-anthraquinone; 1,6-Dihydroxy-2,4-dimethoxyanthraquinone V; 1,6-dihydroxy-2,4-dimethoxy-anthracene-9,10-dione; 1,6-dihydroxy-2,4-dimethoxyanthranquinone v; 1,6-dihydroxy-2,4-dimethoxyanthraquinone v | C16H12O6 | 300.26 g/mol | COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)C=CC(=C3)O)O)OC |
| TCMBANKIN061787 | (-)-yatein | Dihydroanhydropodorhizol; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R-trans)-; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-2-tetrahydrofuranone; MolPort-035-706-087; AC1L9DHE; (-)-deoxypodorhizone; (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl) dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-2(3h)-furanone; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-,trans-(-)-; GMLDZDDTZKXJLU-JKSUJKDBSA-N; AKOS032948829; (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; ZINC1575142; (-)-yatein; Deoxypodorhizone; CHEMBL471067; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one; Yatein; DTXSID50193471; 40456-50-6; RD4-6277; BG01688458; AIDS-218539; AIDS218539; SCHEMBL1037807; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R,4R)-; D01FBL; (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; W1872; (3R,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; (-)-trans-3-(3,4-Methylenedioxybenzyl)-2-(3,4,5-trimethoxybenzyl)butyrolactone; CHEBI:4553; C22H24O7; (3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; C10557; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; dihydroanhydropodorhizol; BDBM50241524; Deoxypodorhizon; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydrofuran-2-one | C22H24O7 | 400.42 g/mol | COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4 |
| TCMBANKIN061850 | p-methoxyhydrocinnamic acid | C10H12O3 | 180.2 g/mol | COC1=CC=C(C=C1)CCC(=O)O | |
| TCMBANKIN061852 | 5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah2a) | 5α,6β,7β,8α-tetrahydroxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone | C18H20O7 | COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O | |
| TCMBANKIN061853 | 2-[2-(4'-methoxyphenyl) ethyl] chromone | 2-[2-(4'-methoxyphenyl)ethyl] chromone | COC1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2 | ||
| TCMBANKIN061907 | 5alpha,6beta,7beta-trihydroxy-8alpha-methoxy-2-(2-phenylethyl) chromone | 5alpha,6beta,7beta-trihydroxy-8alpha-methoxy-2-(2-phenylethyl)chromone; (6R,7R)-5,6,7-trihydroxy-8-methoxy-2-phenethyl-5,6,7,8-tetrahydrochromen-4-one; AC1NT16R; 5α,6β,7β-trihydroxy-8α-methoxy-2-(2-phenyl-ethyl)-5,6,7,8-tetrahydro chromone | COC1C(C(C(C2=C1OC(=CC2=O)CCC3=CC=CC=C3)O)O)O |
植物对应的疾病
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植物对应的靶点
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