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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9323
CHEMBL9323
Compound Name DIHYDROKAEMPFEROL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12O6

Additional synonyms for CHEMBL9323 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3
Standard InChI InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18) ...
Download InChI
Standard InChI Key PADQINQHPQKXNL-LSDHHAIUSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL9323

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
288.3 288.0634 1.72 1 107.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.42 - 2.86 2.38 2 21 0.64

Structural Alerts

There are 3 structural alerts for CHEMBL9323. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PADQINQHPQKXNL-LSDHHAIUSA-N
PubChem SID: 46501191
Wikipedia Aromadendrin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9323



ACToR 20257-56-1
BindingDB 50240348
ChEBI 15401
eMolecules 30513041
EPA CompTox Dashboard DTXSID8075411
FDA SRS 7YA4640575
Human Metabolome Database HMDB30847
IBM Patent System 387FCD7EE915889D9173839D0E0A314B
KEGG Ligand C00974
MolPort MolPort-016-638-406
Nikkaji J12.461C
PubChem 122850
PubChem: Thomson Pharma 15443068
SureChEMBL SCHEMBL2036629
ZINC ZINC000013517387

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