| Compound | 17-(methoxycarbonyl)-28-nor-isoiguesterin |
| NPACT-Id | NPACT01402 |
| IUPAC | methyl (4aS,6aR,6aS,14aS,14bS)-10-hydroxy-6a,6a,9, 14a-tetramethyl-2-methylidene-11-oxo-1,3,4,5,6,13,14, 14b-octahydropicene-4a-carboxylate |
| Synonyms | - |
| PubChem Id | 10411393 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | CPFUJAKVJBYWJA-BTRWLOMLSA-N |
| InChi | 1S/C29H36O4/c1-17-9-10-29(25(32)33-6)14-13-27(4)22-8-7-19-18(2)24(31)21(30)16-20(19)26(22,3)11-12-28(27,5)23(29)15-17/h7-8,16,23,31H,1,9-15H2,2-6H3/t23-,26-,27+,28-,29-/m0/s1 |
| SMILES | O(C(=O)[C@]12[C@H]([C@]3([C@](CC1)(C1=CC=C4C(=CC(=O)C(=C4C)O)[C@@]1(CC3)C)C)C)CC(=C)CC2)C |
|
SMART | [#6]OC(=O)[C@]12CCC(=C)C[C@H]1[C@]1([#6])CC[C@@]3([#6])C4=CC(=O)C(O)=C([#6])C4=CC=C3[C@@]1([#6])CC2 |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |