anacardic acid

Ligand id: 6999

Name: anacardic acid

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 57.53
Molecular weight 342.22
XLogP 8.94
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Classification
Compound class Natural product or derivative
IUPAC Name
2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]benzoic acid
Comments
Anacardic acid has been ascribed activity as a histone acetyltransferase (HAT) inhibitor. However, a 2017 article by Dahlin et al. suggests that anacardic acid non-specifically perturbs biological assays, bringing in to question its HAT inhibitor activity [2].
Database Links
CAS Registry No. 18654-18-7
ChEMBL Ligand CHEMBL464925
GtoPdb PubChem SID 178103578
PubChem CID 5388781
Search Google for chemical match using the InChIKey QUVGEKPNSCFQIR-AOSYACOCSA-N
Search Google for chemicals with the same backbone QUVGEKPNSCFQIR
Search UniChem for chemical match using the InChIKey QUVGEKPNSCFQIR-AOSYACOCSA-N
Search UniChem for chemicals with the same backbone QUVGEKPNSCFQIR