| Compound | encelin |
| NPACT-Id | NPACT01196 |
| IUPAC | - |
| Synonyms | Dehydrofarinosin;Farinosin, dehydro-;naphtho[2,3-b]furan-2,6(3h,4h)-dione, 3a,4a,5,8a,9,9a-hexahydro-8a-methyl-3,5-bis(methylene)-,(3ar,4ar,8as,9ar)-; |
| PubChem Id | 72540 |
| 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 | LXMUZMFQJGRVFW-NDPMZMCLSA-N |
| InChi | 1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3/t10-,11+,13-,15-/m1/s1 |
| SMILES | O1[C@H]2[C@H](C[C@@H]3[C@](C2)(C)C=CC(=O)C3=C)C(=C)C1=O |
|
SMART | [H]C([H])=C1C(=O)O[C@]2([H])C([H])([H])[C@]3(C([H])=C([H])C(=O)C(=C(/[H])[H])[C@]3([H])C([H])([H])[C@]12[H])C([H])([H])[H] |
| CAS No. | 15569-50-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C093533 |
| HIT | - |
| NCI-60 GI50 data | 15569-50-3 |
| Suppliers | AAA Chemistry, ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |