Structure database (LMSD)

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LM IDLMPK15040001
Common NameAnacardic acid
Systematic Name2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid
Synonyms-
Exact Mass
342.2195 (neutral)    Calculate m/z:
FormulaC22H30O3
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAnacardic acids and derivatives [PK1504]
PubChem CID9875131
CAYMAN ID26611
InChIKeyQUVGEKPNSCFQIR-UTOQUPLUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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SMILES
C1C=C(CCCCCCC/C=C\C/C=C\CC=C)C(C(O)=O)=C(O)C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
373.79Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP6.05Molar
Refractivity
104.18