| Compound | Alpha-Humulene |
| NPACT-Id | NPACT00235 |
| IUPAC | (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| Synonyms | ALPHA-CARYOPHYLLENE |
| PubChem Id | 5281520 |
| Class | Terpenoids |
| In-vitro anticancer activity | 12 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
| InChi | 1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
| SMILES | C1(CC=C(CCC=C(CC=C1)C)C)(C)C |
|
SMART | [H]C1=C([H])/[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C1([H])[H] |
| CAS No. | 6753-98-6 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C042686 |
| HIT | C0557 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), |
| 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 |