(3S)-16,17-Didehydrofalcarinol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL465006 | |
| PubChem: | 5469785 | |
| IUPAC: | (3S,9Z)-heptadeca-1,9,16-trien-4,6-diyn-3-ol | |
| Standard InChI: | InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,10-11,17-18H,1-2,5-9,12H2/b11-10-/t17-/m0/s1 | |
| Standard InChI Key: | JRLHSTVTOOELAF-MQNTZWLQSA-N | |
| SMILES: | C=CCCCCC/C=CCC#CC#C[C@H](C=C)O | |
Molecular propeties
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| AlogP: | 3.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 0 | |
| Molecular Weight: | 242.17 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.412 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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