| Compound | Ailanquassin A |
| NPACT-Id | NPACT00225 |
| IUPAC | 5-pentadecylbenzene-1,3-diol |
| Synonyms | - |
| PubChem Id | 15432541 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | QFFKFFIFIWKYEB-MWVFVGDUSA-N |
| InChi | 1S/C19H24O7/c1-8-4-12(20)26-15(8)17(3)6-11-18-7-24-19(23,16(17)18)14(22)9(2)10(18)5-13(21)25-11/h4,9-11,14-16,22-23H,5-7H2,1-3H3/t9-,10+,11-,14-,15+,16-,17-,18-,19+/m1/s1 |
| SMILES | O1[C@]2(O)[C@H]3[C@@]4([C@H]([C@H]([C@H]2O)C)CC(=O)O[C@@H]4C[C@@]3([C@H]2OC(=O)C=C2C)C)C1 |
|
SMART | [H]O[C@]1([H])[C@]([H])(C([H])([H])[H])[C@]2([H])C([H])([H])C(=O)O[C@]3([H])C([H])([H])[C@](C([H])([H])[H])([C@@]4([H])OC(=O)C([H])=C4C([H])([H])[H])[C@@]4([H])[C@@]1(O[H])OC([H])([H])[C@@]234 |
| 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 | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |