ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

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
BindinDB 50381226
ChEBI 37316
eMolecules 1072848
FDA SRS GFG3FLA9UR
MolPort MolPort-001-823-244
Nikkaji J8.831E J15.943C J47.722B
PubChem 5370536
PubChem: Thomson Pharma 16436213
SureChEMBL SCHEMBL447578

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