anacardic acid   Click here for help

GtoPdb Ligand ID: 6999

Comment: 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].
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES C=CCC=CCC=CCCCCCCCc1cccc(c1C(=O)O)O
Isomeric SMILES C=CC/C=C/C/C=C/CCCCCCCc1cccc(c1C(=O)O)O
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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Molecular structure representations generated using Open Babel