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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL455368
CHEMBL455368
Compound Name ANACARDIC ACID
ChEMBL Synonyms 6-Pentadecylsalicylic Acid | Anacardic Acid | 6-(Pentadecenyl)Salicylic Acid
Max Phase 0
Trade Names
Molecular Formula C22H30O3

Additional synonyms for CHEMBL455368 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Standard InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17 ...
Download InChI
Standard InChI Key QUVGEKPNSCFQIR-UTOQUPLUSA-N

Structural Alerts

There are 9 structural alerts for CHEMBL455368. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL455368

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
342.5 342.2195 6.81 13 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.08 - 8.37 5.23 1 25 0.31

Compound Cross References

ChemSpider ChemSpider:QUVGEKPNSCFQIR-UTOQUPLUSA-N
Wikipedia Anacardic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL455368



BindinDB 50292429
eMolecules 25719903
PubChem 9875131
PubChem: Thomson Pharma 15051044
SureChEMBL SCHEMBL4142096

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/QUVGEKPNSCFQIR-UTOQUPLUSA-N spacer
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