Methyl (9Z,12Z)-Octadeca-9,12-Dienoate
Representations & DB's id
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| ChEBI: | CHEBI:69080 | |
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| ChEMBL: | CHEMBL3183866 | |
| PubChem: | 5284421 | |
| IUPAC: | methyl (9Z,12Z)-octadeca-9,12-dienoate | |
| Standard InChI: | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10- | |
| Standard InChI Key: | WTTJVINHCBCLGX-NQLNTKRDSA-N | |
| SMILES: | CCCCC/C=CC/C=CCCCCCCCC(=O)OC | |
Molecular propeties
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| AlogP: | 5.97 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 14 | |
| Number of rings: | 0 | |
| Molecular Weight: | 294.26 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.737 | |
| Number of carbons: | 19 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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