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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL490512
CHEMBL490512
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14O

Additional synonyms for CHEMBL490512 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CCc1ccccc1)c2ccccc2
Standard InChI InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8- ...
Download InChI
Standard InChI Key QGGZBXOADPVUPN-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL490512

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
210.3 210.1045 3.73 4 17.07 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.37 3.37 2 16 0.7

Structural Alerts

There are 1 structural alerts for CHEMBL490512. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QGGZBXOADPVUPN-UHFFFAOYSA-N
Wikipedia Dihydrochalcone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL490512



ACToR 1083-30-3
Brenda 105542
ChEBI 71231
eMolecules 889643
EPA CompTox Dashboard DTXSID7061481
FDA SRS H5W525SX7Q
Human Metabolome Database HMDB0032041
IBM Patent System F3289A18EAE6C47C1D5E8865533AA960
LipidMaps LMPK12120464
Mcule MCULE-8511210245
Metabolights MTBLC71231
MolPort MolPort-000-861-100
Nikkaji J254.530F
PubChem 64802
PubChem: Thomson Pharma 14892159
SureChEMBL SCHEMBL30572
ZINC ZINC000001089845

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