(10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid methyl ester
Basic information
- CAS
64265-95-8- Standard SMILES
CC/C=C\C/C=C\C=C\C(O)CCCCCCCC(=O)OC- InChIKey
MTOOOXVLHAITCG-RUDXKNGCSA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.23514488
Overview
(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester is a fatty acid methyl ester isolated from leaves and twigs of Ehretia dicksonii. It exhibits anti-inflammatory and inhibition of lipoxygenase activities. It has a role as a metabolite, a lipoxygenase inhibitor and an anti-inflammatory agent.
Names & identifiers
- Preferred name
- (10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid methyl ester
- IUPAC
- methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Names & synonyms
Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate(10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid methyl esterCHEBI:66038Q27134543
Database identifiers
- CAS
64265-95-8- PubChem CID
- 10244787
- ChEBI
CHEBI:66038- Nikkaji
- J1.297.576G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 343
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Compound notes
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