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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-(Pentadecenyl)Salicylic Acid | Anacardic Acid | 6-Pentadecylsalicylic 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

Sources

  • Scientific Literature

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

Structural Alerts

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

Compound Cross References

ChemSpider ChemSpider:QUVGEKPNSCFQIR-UTOQUPLUSA-N
Wikipedia Anacardic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL455368



BindingDB 50292429
Brenda 155064
eMolecules 25719903
EPA CompTox Dashboard DTXSID70872877
LipidMaps LMPK15040001
Mcule MCULE-7532607179
MolPort MolPort-001-740-966
PubChem 9875131
PubChem: Thomson Pharma 15051044
SureChEMBL SCHEMBL4142096
ZINC ZINC000017198574

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