| Compound | 1,2,4-trihydroxyheptadec-16-yne |
| NPACT-Id | NPACT00023 |
| IUPAC | heptadec-16-yne-1,2,4-triol |
| Synonyms | 16-Heptadecyne-1,2,4-triol; heptadec-16-yne-1,2,4-triol |
| PubChem Id | 3015189 |
| Class | Aliphatic natural products |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | OHLQBKZXSJYBMK-UHFFFAOYSA-N |
| InChi | 1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2 |
| SMILES | O[C@H](CCCCCCCCCCCC#C)C[C@H](O)CO |
|
SMART | [H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C#C[H] |
| CAS No. | 24607-05-4 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, ChemFrog, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | No |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |