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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL463453
CHEMBL463453
Compound Name DIHYDROMORIN
ChEMBL Synonyms (2R,3R)-5,7,2',4'-Tetrahydroxyflavanonol | Dihydromorin
Max Phase 0
Trade Names
Molecular Formula C15H12O7

Additional synonyms for CHEMBL463453 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)cc3O
Standard InChI InChI=1S/C15H12O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10( ...
Download InChI
Standard InChI Key QIWOFDHUQPJCJF-LSDHHAIUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL463453

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
304.3 304.0583 1.19 1 127.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 5 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.38 - 3 2.48 2 22 0.54

Structural Alerts

There are 3 structural alerts for CHEMBL463453. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QIWOFDHUQPJCJF-LSDHHAIUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL463453



ACToR 18422-83-8
MolPort MolPort-035-683-152
Nikkaji J972.237H
PubChem 5458714
PubChem: Thomson Pharma 14898564
SureChEMBL SCHEMBL6819045
ZINC ZINC000001573788

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