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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL90568
CHEMBL90568
Compound Name DIOSMETIN
ChEMBL Synonyms Diosmetin | Diosmetine
Max Phase 0
Trade Names
Molecular Formula C16H12O6

Additional synonyms for CHEMBL90568 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2
Standard InChI InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11 ...
Download InChI
Standard InChI Key MBNGWHIJMBWFHU-UHFFFAOYSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL90568. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL90568

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
300.3 300.0634 2.39 2 96.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.5 - 2.88 1.65 2 22 0.79

Compound Cross References

ChemSpider ChemSpider:MBNGWHIJMBWFHU-UHFFFAOYSA-N
PubChem SID: 174007266 SID: 26756923
Wikipedia Diosmetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL90568



ACToR 520-34-3
BindingDB 23414
ChEBI 4630
eMolecules 1935809
EPA CompTox Dashboard DTXSID80199966
FDA SRS TWZ37241OT
Human Metabolome Database HMDB29676
IBM Patent System BE99ED1735EAA9393F2460EC8C9BF216
KEGG Ligand C10038
Mcule MCULE-4793583546
MolPort MolPort-003-665-821
Nikkaji J831A
PubChem 5281612
PubChem: Thomson Pharma 15468586
Selleck Diosmetin(Luteolin-4-methyl-ether)
SureChEMBL SCHEMBL289337
ZINC ZINC05733652

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