| Compound | (-)-usnic acid |
| NPACT-Id | NPACT01039 |
| IUPAC | - |
| Synonyms | (S)-Usnic acid;(S)-usnate;(+)-Usniacin, D-Usnic acid;2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione;(+)-Usniacin;(9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one; |
| PubChem Id | 442614 |
| Class | Benzofuranoids |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | WEYVVCKOOFYHRW-GOSISDBHSA-N |
| InChi | 1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1 |
| SMILES | O1C2=CC(=C(C(=O)[C@]2(c2c1c(c(O)c(c2O)C)C(=O)C)C)C(=O)C)O |
|
SMART | [H]OC1=C(C(=O)C([H])([H])[H])C(=O)[C@@]2(C(OC3=C(C(=O)C([H])([H])[H])C(O[H])=C(C(O[H])=C23)C([H])([H])[H])=C1[H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | 000125462 |
| CTD | C073339 |
| HIT | C0290 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, AKos Consulting & Solutions, Ambinter, IS Chemical Technology, MolPort, Selleck Chemicals, Sigma-Aldrich, Vitas-M Laboratory, |
| 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 |