ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9352
CHEMBL9352
Compound Name NARINGENIN
ChEMBL Synonyms NSC-11855
Max Phase 0
Trade Names
Molecular Formula C15H12O5

Additional synonyms for CHEMBL9352 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2
Standard InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10 ...
Download InChI
Standard InChI Key FTVWIRXFELQLPI-ZDUSSCGKSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL9352. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL9352

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
272.3 272.0685 2.37 1 86.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.52 - 2.63 2.23 2 20 0.74

Compound Cross References

ChemSpider ChemSpider:FTVWIRXFELQLPI-ZDUSSCGKSA-N
PubChem SID: 11112355 SID: 11113265 SID: 22405473
Wikipedia Naringenin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9352



ACToR 480-41-1
BindingDB 23419
ChEBI 17846
DrugBank DB03467
eMolecules 1016027
FDA SRS HN5425SBF2
Human Metabolome Database HMDB02670
IBM Patent System 10E8AA299F568591BE7E52ECAFDAF5F6
KEGG Ligand C00509
MolPort MolPort-001-796-145
Nikkaji J325.849A
PDBe NAR
PubChem 439246
PubChem: Drugs of the Future 12015491
PubChem: Thomson Pharma 16584015
Selleck Naringenin
SureChEMBL SCHEMBL20570
ZINC ZINC00156701

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