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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL448297
CHEMBL448297
Compound Name SAKURANETIN
ChEMBL Synonyms Naringenin 7-Methyl Ether | 7-O-Methylnaringenin | Sakuranetin
Max Phase 0
Trade Names
Molecular Formula C16H14O5

Additional synonyms for CHEMBL448297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)cc3
Standard InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7- ...
Download InChI
Standard InChI Key DJOJDHGQRNZXQQ-AWEZNQCLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL448297

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 2.6 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
7.42 - 2.99 2.7 2 21 0.89

Structural Alerts

There are 3 structural alerts for CHEMBL448297. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DJOJDHGQRNZXQQ-AWEZNQCLSA-N
Wikipedia Sakuranetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL448297



BindingDB 50312648
Brenda 211238 84076 52901 163689 170506
ChEBI 28927
DrugBank DB08517
FDA SRS 3O38P61299
Guide to Pharmacology 412
Human Metabolome Database HMDB0030090
IBM Patent System 2F4FC4A9DF39FA78C4E4FE70062BAD84
KEGG Ligand C09833
LipidMaps LMPK12140571
Mcule MCULE-1297538743
Metabolights MTBLC28927
MolPort MolPort-039-052-519
Nikkaji J7.652J
PDBe SAK
PubChem 73571
PubChem: Thomson Pharma 26746503
Rhea 28927
SureChEMBL SCHEMBL555542
ZINC ZINC000000338284

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