Structure Database (LMSD)

OH O OH
Common Name
Anacardic acid
Systematic Name
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid
Synonyms
LM ID
LMPK15040001
Formula
C22H30O3
Exact Mass
Calculate m/z
342.219495
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Anacardic acids and derivatives [PK1504]

String Representations

InChiKey (Click to copy)
QUVGEKPNSCFQIR-UTOQUPLUSA-N
InChi (Click to copy)
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-
SMILES (Click to copy)
C1C=C(CCCCCCC/C=C\C/C=C\CC=C)C(C(O)=O)=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anacardium occidentale (#171929)
Magnoliopsida (#3398)
Antibacterial agents from the cashew Anacardium occidentale (Anacardiaceae) nut shell oil,
J. Agric. Food Chem., 1991

Other Databases

CHEBI ID
183726
PubChem CID
9875131
Cayman ID
26611

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 373.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.05
Molar Refractivity 104.18

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Created at
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Updated at
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