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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 1.48 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 0.63

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
Brenda 123381 19822 123401 125278 88155 123987 123379 42775
ChEBI 15401
eMolecules 30513041
EPA CompTox Dashboard DTXSID8075411
FDA SRS 7YA4640575
Human Metabolome Database HMDB0030847
IBM Patent System 387FCD7EE915889D9173839D0E0A314B
KEGG Ligand C00974
Metabolights MTBLC15401
MolPort MolPort-016-638-406
Nikkaji J12.461C
PubChem 122850
PubChem: Thomson Pharma 15443068
Rhea 15401
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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