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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2011171
CHEMBL2011171
Compound Name ISOFLAVANONE
ChEMBL Synonyms Isoflavanone
Max Phase 0
Trade Names
Molecular Formula C15H12O2

Additional synonyms for CHEMBL2011171 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C(COc2ccccc12)c3ccccc3
Standard InChI InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2 ...
Download InChI
Standard InChI Key RTRZOHKLISMNRD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2011171

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
224.3 224.0837 3.05 1 26.3 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.57 3.57 2 17 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL2011171. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RTRZOHKLISMNRD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2011171



ACToR 4737-27-3
BindingDB 50380162
ChEBI 27945
eMolecules 29549588
IBM Patent System E0DCAFD16F38B623CAF052AFB1133301
KEGG Ligand C01927
Mcule MCULE-2644639815
MolPort MolPort-002-893-691
Nikkaji J46.302G
PubChem 160767
PubChem: Thomson Pharma 15172233
SureChEMBL SCHEMBL72983

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