| Compound | Casearborin D |
| NPACT-Id | NPACT00402 |
| IUPAC | [1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate |
| Synonyms | - |
| PubChem Id | 6367398 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | BTSDTWZLDJUDMR-SFQUDFHCSA-N |
| InChi | 1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(35)31-24(28(37-19(4)32)40-29(31)38-20(5)33)15-23(16-25(30)31)39-27(36)21-8-10-22(34)11-9-21/h7-12,15,18,23,25-26,28-29,34-35H,1,13-14,16H2,2-6H3/b17-12+ |
| SMILES | O1[C@@H](OC(=O)C)[C@]23[C@@H]([C@@]([C@H](C[C@H]2O)C)(C/C=C(C)/C=C)C)C[C@@H](OC(=O)c2ccc(O)cc2)C=C3[C@@H]1OC(=O)C |
|
SMART | [#6][C@H]1C[C@@H](O)[C@@]23[C@H](OC([#6])=O)O[C@@H](OC([#6])=O)C2=C[C@@H](C[C@@H]3[C@]1([#6])CC=C(/[#6])C=C)OC(=O)C1=CC=C(O)C=C1 |
| 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 | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |