| Compound | 2-alpha-hydroxytirotundin |
| NPACT-Id | NPACT00096 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 636756 |
| 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 | UFLGQPOBCWRADC-JWEFVCNNSA-N |
| InChi | 1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)8-14(20)19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14+,15-,18+,19+/m0/s1 |
| SMILES | O1[C@]2(C[C@@H](O)[C@@]1(O)[C@H](C[C@H]1OC(=O)C(=C)[C@@H]1[C@H](OC(=O)C(C)C)C2)C)C |
|
SMART | [H]O[C@]1([H])C([H])([H])[C@@]2(O[C@]1(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]1([H])OC(=O)C(=C([H])[H])[C@]1([H])[C@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])[H] |
| CAS No. | 464-92-6 |
|
Structure
Download | 
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| 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 |