(3S,8S)-16,17-Didehydrofalcarindiol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL459266 | |
| PubChem: | 5469786 | |
| IUPAC: | (3S,8S,9Z)-heptadeca-1,9,16-trien-4,6-diyne-3,8-diol | |
| Standard InChI: | InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h3-4,10,14,16-19H,1-2,5-9H2/b14-10-/t16-,17-/m0/s1 | |
| Standard InChI Key: | OLUQMFYBNOJBQQ-RCQSYPNMSA-N | |
| SMILES: | C=CCCCCC/C=C[C@@H](C#CC#C[C@H](C=C)O)O | |
Molecular propeties
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| AlogP: | 2.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 0 | |
| Molecular Weight: | 258.16 | |
| Topological polar surface area: | 40.5 | |
| 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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