| 2D Structure | |
| CID | 4369270 |
| Target | ABCB1 , ATP12A , ATP1A1 , ATP1A2 , ATP1A3 , ATP1A4 , ATP1B1 , ATP1B2 , ATP1B3 , BARD1 , BRCA1 , CFTR , EPAS1 , FXYD2 , GLP1R , LMP , MC4R , MDM2 , MDM4 , MITF , NCOA1 , NCOA3 , NFE2L2 , NR5A1 , NR5A2 , OPRD1 , OPRM1 , Ppp1r15a , STK33 |
| IUPAC Name | 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| InChI | InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 |
| InChI Key | XZTUSOXSLKTKJQ-CESUGQOBSA-N |
| Canonical SMILES | CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O |
| Isomeric SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O |
| Molecular Formula | C23H34O4 |
| Molecular Weight | 374.5 |
| synonyms | ['Digitoxigenin', '143-62-4', 'Cerberigenin', 'Echujetin', 'Evonogenin', 'Thevetigenin', 'Digitoxigenine', 'MLS002153810', 'S63WOD4VOL', '3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one', 'NSC 407806', 'CHEBI:42219', 'EINECS 205-603-4', '3beta,14-Dihydroxy-5beta-card-20(22)-enolide', 'DIGITOXIGENIN [MI]', '(+)-DIGITOXIGENIN', 'NSC-407806', 'BRN 0095448', '3-beta,14-Dioxy-digen-(20:22)-olid', '3-beta,14-Dioxy-carden-(20:22)-olid', 'Cardogenen-(20:22)-diol-(3-beta,14)', 'DTXSID80162276', '3-beta,14-Dioxy-digen-(20:22)-olid [German]', '5-18-03-00348 (Beilstein Handbook Reference)', '3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide', '3-beta,14-Dioxy-carden-(20:22)-olid [German]', 'Cardogenen-(20:22)-diol-(3-beta,14) [German]', '3-beta,14beta-dihydroxy-5-beta-card-20(22)-enolide', '3.beta.,14-Dihydroxy-5.beta.-card-20(22)-enolide', 'delta20:22-3,14,21-Trihydroxynorcholenic acid lactone', '.delta.20:22-3,14,21-Trihydroxynorcholenic acid lactone', 'Card-20(22)-enolide, 3,14-dihydroxy-, (3beta,5beta)-', 'delta-sup(20:22)-3,14,21-Trihydroxynorcholenicacid lactone', 'Card-20(22)-enolide, 3,14-dihydroxy-, (3-beta,5-beta)-', 'Card-20(22)-enolide, 3,14-dihydroxy-, (3.beta.,5.beta.)-', 'delta-sup(20:22)-3,14,21-Trihydroxynorcholenic acid lactone', '3-.beta.,14-Dioxy-digen-(20:22)-olid', 'Cardogenen-(20:22)-diol-(3-.beta.,14)', '5beta-Card-20(22)-enolide, 3beta,14-dihydroxy-', '5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy', '5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-', '5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-', '.DELTA.-sup(20:22)-3,14,21-Trihydroxynorcholenicacid lactone', '3-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-one', 'DTXCID6084767', '5beta-Card-20(22)-enolide, 3beta,14-dihydroxy', '5beta-Card-20(22)-enolide, 3beta,14-dihydroxy-(8CI)', 'Card-20(22)-enolide, 3,14-dihydroxy-, (3beta,5beta)-(9CI)', '205-603-4', 'xztusoxslktkjq-cesugqobsa-n', 'xztusoxslktkjq-uhfffaoysa-n', 'MFCD00003687', 'SMR001233182', 'DTX', '3b,14-Dihydroxy-5b-card-20(22)-enolide', 'MLS002701726', 'UNII-S63WOD4VOL', 'NSC407806', '1lnm', '4-(3,14-DIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE', 'Digitoxigenin; (+)-Digitoxigenin; NSC 407806; Card-20(22)-enolide, 3,14-dihydroxy-, (3beta,5beta)-; 5beta-Card-20(22)-enolide, 3beta,14-dihydroxy- (6CI,7CI,8CI); Delta20:22-3,14,21-Trihydroxynorcholenic acid lactone', 'Prestwick_169', 'Prestwick0_000436', 'Prestwick1_000436', 'Prestwick2_000436', 'Prestwick3_000436', 'CHEMBL1453', 'SCHEMBL61224', 'BSPBio_000452', 'SPBio_002391', 'BPBio1_000498', 'BDBM66977', 'cid_4369270', '3-beta,14-Dihydroxy-5-beta,14-beta-card-20(22)-enolide', 'HMS1569G14', 'HMS2096G14', 'HMS2231J22', 'HMS3713G14', 'LMST01120001', 'AKOS015915862', 'CCG-220436', 'DB04177', 'FD11670', 'NCGC00179555-01', 'AC-38163', '5beta,20(22)-Cardenolide-3beta,14-diol', '3b,14b-dihydroxy-5b-carda-20(22)-enolid', 'D0541', 'NS00009205', '3beta,14-Dihydroxy-5beta,20(22)-cardenolide', '5.beta.-Card-20(22)-enolide,14-dihydroxy-', 'A12049', '3-BETA, 14-BETA-CARD-20(22)-ENOLIDE', 'Q411469', 'SR-01000841188', 'SR-01000841188-2', '3,14,21-Trihydroxy-20(22)-norcholenic acid lactone', 'BRD-K18518344-001-03-5', 'BRD-K18518344-001-15-9', '.delta.20:22-3,21-Trihydroxynorcholenic acid lactone', 'WLN: L E5 B666TJ A1 E1 F- DT5OV CUTJ IQ OQ', '(3alpha,5beta,8alpha)-3,14-dihydroxycard-20(22)-enolide', '.delta.-sup(20:22)-3,21-Trihydroxynorcholenic acid lactone', '3,14-Dihydroxycard-20(22)-enolide, (3.beta.,5.beta.)- #', 'Card-20(22)-enolide,14-dihydroxy-, (3.beta.,5.beta.)-', '3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one', '3b,14-Dihydroxy-5b,20(22)-cardenolide,;3,14,21-Trihydroxy-20(22)-norcholenic acid lactone;5b,20(22)-Cardenolide-3?,14-diol'] |
From Pubchem