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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL332122
CHEMBL332122
Compound Name PIPERIC ACID
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H10O4

Additional synonyms for CHEMBL332122 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)\C=C\C=C\c1ccc2OCOc2c1
Standard InChI InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15- ...
Download InChI
Standard InChI Key RHBGITBPARBDPH-ZPUQHVIOSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL332122

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
218.2 218.0579 2.16 3 55.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.37 - 2.4 -.56 1 16 0.62

Structural Alerts

There are 7 structural alerts for CHEMBL332122. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RHBGITBPARBDPH-ZPUQHVIOSA-N
PubChem SID: 420405
Wikipedia Piperic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL332122



ACToR 136-72-1
BindingDB 50381226
ChEBI 37316
eMolecules 1072848
FDA SRS GFG3FLA9UR
Metabolights MTBLC37316
MolPort MolPort-001-823-244
Nikkaji J8.831E J15.943C J47.722B
PubChem 5370536
PubChem: Thomson Pharma 16436213
SureChEMBL SCHEMBL447578
ZINC ZINC000001870371

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