Compound | Falcarinol |
NPACT-Id | NPACT00574 |
IUPAC | (3S,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol |
Synonyms | 1,9-Heptadecadiene-4,6-diyn-3-ol;(+)-Falcarinol;(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-o |
PubChem Id | 5469789 |
Class | Aliphatic natural products |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | Yes |
Targets | CASP3 | All | |
Properties | Physical Elemental Topological |
InChi Key | UGJAEDFOKNAMQD-MQNTZWLQSA-N |
InChi | 1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m0/s1 |
SMILES | O[C@H](C#CC#CC/C=CCCCCCCC)C=C |
SMART | [H]O[C@]([H])(C#CC#CC([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C(/[H])[H] |
CAS No. | 81203-57-8 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | 055297875 |
CTD | C018541 |
HIT | C0094 |
NCI-60 GI50 data | - |
Suppliers | ABI Chem, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | Yes |
Veber filter | No |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |