ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL463212
CHEMBL463212
Compound Name VULPINIC ACID
ChEMBL Synonyms Vulpinic Acid
Max Phase 0
Trade Names
Molecular Formula C19H14O5

Additional synonyms for CHEMBL463212 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)\C(=C/1\OC(=O)C(=C1O)c2ccccc2)\c3ccccc3
Standard InChI InChI=1S/C19H14O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20) ...
Download InChI
Standard InChI Key OMZRMXULWNMRAE-BMRADRMJSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL463212

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
322.3 322.0841 2.83 4 72.83 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 5.32 2.51 2 24 0.69

Structural Alerts

There are 4 structural alerts for CHEMBL463212. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OMZRMXULWNMRAE-BMRADRMJSA-N
PubChem SID: 50109875
Wikipedia Vulpinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL463212



ACToR 521-52-8
eMolecules 18593104
Nikkaji J28.552H J86.165K
PubChem 54690323
PubChem: Thomson Pharma 14797116
SureChEMBL SCHEMBL559924

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