| Compound | Bisabolone |
| NPACT-Id | NPACT00338 |
| IUPAC | [2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-[(2R,3R,4S,6S)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[2-(4-hydroxyphenyl)ethyl]oxan-3-yl]methanone |
| Synonyms | - |
| PubChem Id | 6429340 |
| Class | Terpenoids |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | FFZCGQYOMOOQNB-UHFFFAOYSA-N |
| InChi | 1S/C15H26O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5,11,13-14H,6-10H2,1-4H3 |
| SMILES | O=C(CC[C@H]([C@@H]1CCC(=CC1)C)C)C(C)C |
|
SMART | [H]C1=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | 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 |