Compound | Octadeca-9,11,13-triynoic acid |
NPACT-Id | NPACT01285 |
IUPAC | - |
Synonyms | - |
PubChem Id | 11778027 |
Class | Polyketides |
In-vitro anticancer activity | 4 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | CBWJECXEMSFLLW-UHFFFAOYSA-N |
InChi | 1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4,11-17H2,1H3,(H,19,20) |
SMILES | OC(=O)CCCCCCCC#CC#CC#CCCCC |
SMART | [H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C#CC#CC#CC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
CAS No. | - |
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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 | No |
Ghose filter | No |
Veber filter | No |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |