9,12,13-Trihydroxyoctadeca-10(E),15(Z)-Dienoic Acid
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL469620 | |
| PubChem: | 44559173 | |
| IUPAC: | (10E,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid | |
| Standard InChI: | InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+ | |
| Standard InChI Key: | MKYUCBXUUSZMQB-MKZMYESJSA-N | |
| SMILES: | CC/C=CCC(C(/C=C/C(CCCCCCCC(=O)O)O)O)O | |
Molecular propeties
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| AlogP: | 2.8 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 14 | |
| Number of rings: | 0 | |
| Molecular Weight: | 328.22 | |
| Topological polar surface area: | 98 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.722 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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