ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL238823
CHEMBL238823
Compound Name MEDICARPIN
ChEMBL Synonyms Medicarpin
Max Phase 0
Trade Names
Molecular Formula C15H12O4

Additional synonyms for CHEMBL238823 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2C3Oc4cc(O)ccc4C3COc2c1
Standard InChI InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6- ...
Download InChI
Standard InChI Key ODMIEGVTNZNSLD-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL238823

Alternate Forms of Compound in ChEMBL


CHEMBL238823

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
256.3 256.0736 2.46 0 58.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.53 - 2.53 2.52 2 19 0.76

Compound Cross References

ChemSpider ChemSpider:ODMIEGVTNZNSLD-UHFFFAOYSA-N
Wikipedia Medicarpin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL238823



IBM Patent System 54D6E804531C5509B1D1CADF09B5F781
IBM Patents EP1983848A2 US20100242139 WO2007084861A2
Nikkaji J1.904.414I
PubChem 3347979
PubChem: Thomson Pharma 15268705
SureChEMBL SCHEMBL2812444

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