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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL470266
CHEMBL470266
Compound Name ISOSAKUTANETIN
ChEMBL Synonyms Isosakutanetin | Naringenin 4'-Methyl Ether | Isosakuranetin
Max Phase 0
Trade Names
Molecular Formula C16H14O5

Additional synonyms for CHEMBL470266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2
Standard InChI InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18) ...
Download InChI
Standard InChI Key HMUJXQRRKBLVOO-AWEZNQCLSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL470266

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
286.3 286.0841 2.81 2 75.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.5 - 3.36 2.96 2 21 0.89

Structural Alerts

There are 3 structural alerts for CHEMBL470266. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HMUJXQRRKBLVOO-AWEZNQCLSA-N
PubChem SID: 26756957
Wikipedia Isosakuranetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL470266



ACToR 480-43-3
BindingDB 50325673
ChEBI 27552
eMolecules 1935877
FDA SRS U02X7TF8UA
IBM Patent System 184B276AFFB51EC59F2483D623D56FB9
KEGG Ligand C05334
LipidMaps LMPK12140355
Mcule MCULE-6964743359
Metabolights MTBLC27552
MolPort MolPort-001-742-462
Nikkaji J12.391I
PubChem 160481
SureChEMBL SCHEMBL676015
ZINC ZINC000002146973

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