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

Sources

  • Scientific Literature

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

Structural Alerts

There are no structural alerts for CHEMBL238823

Compound Cross References

ChemSpider ChemSpider:ODMIEGVTNZNSLD-UHFFFAOYSA-N
Wikipedia Medicarpin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL238823



IBM Patent System 54D6E804531C5509B1D1CADF09B5F781
LipidMaps LMPK12070029
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