| 2D Structure | |
| CID | 12004524 |
| Target | BARD1 , BRCA1 , DRD3 , Hsd11b1 , HTT , MC4R , NLRP1 , NLRP3 , OPRM1 , Rorc , SLC12A5 , SMAD3 , TDP1 |
| IUPAC Name | (5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| InChI | InChI=1S/C30H50O4/c1-18(17-22(31)25(33)27(4,5)34)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-23,25,31,33-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,25-,28+,29-,30+/m0/s1 |
| InChI Key | DCGUKHULKAAOPB-QBLSGNHRSA-N |
| Canonical SMILES | CC(CC(C(C(C)(C)O)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C |
| Isomeric SMILES | C[C@@H](C[C@H]([C@@H](C(C)(C)O)O)O)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C |
| Molecular Formula | C30H50O4 |
| Molecular Weight | 474.7 |
| synonyms | ['Piscidinol A', '100198-09-2', 'Piscidil A', 'MLS000563510', '(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one', 'SMR000232320', 'CHEMBL1508930', 'BDBM57506', 'cid_12004524', 'DTXSID901318049', 'HY-N3044', 'AKOS030230287', 'FS-10063', 'CS-0023082', 'F92717', '(13,14,17,20S,23R,24S)-23,24,25-Trihydroxylanost-7-en-3-one', '(1S,3AS,5AR,9AR,9BR,11AS)-3A,6,6,9A,11A-PENTAMETHYL-1-[(2S,4R,5S)-4,5,6-TRIHYDROXY-6-METHYLHEPTAN-2-YL]-1H,2H,3H,5H,5AH,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-ONE', '(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-Pentamethyl-17-((2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta', '(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-((2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one', '(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(1S,3R,4S)-3,4,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one', '(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4R,5S)-6-methyl-4,5,6-tris(oxidanyl)heptan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one'] |
From Pubchem