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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL379064
CHEMBL379064
Compound Name ISORHAMNETIN
ChEMBL Synonyms Isorhamnetine | Isorhamnetin
Max Phase 0
Trade Names
Molecular Formula C16H12O7

Additional synonyms for CHEMBL379064 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
Standard InChI InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13 ...
Download InChI
Standard InChI Key IZQSVPBOUDKVDZ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL379064

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
316.3 316.0583 1.86 2 116.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.31 - 2.79 1.42 2 23 0.67

Structural Alerts

There are 4 structural alerts for CHEMBL379064. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IZQSVPBOUDKVDZ-UHFFFAOYSA-N
PubChem SID: 26756952 SID: 26756953
Wikipedia Isorhamnetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL379064



ACToR 480-19-3
BindingDB 23409
ChEBI 6052
eMolecules 1935869
EPA CompTox Dashboard DTXSID10197379
FDA SRS 07X3IB4R4Z
Human Metabolome Database HMDB02655
IBM Patent System CC31419F2C17A730D14C1E0F724D914E
KEGG Ligand C10084
LipidMaps LMPK12110002
MolPort MolPort-001-742-583
Nikkaji J1.543A
PubChem 5281654
PubChem: Thomson Pharma 14923619
SureChEMBL SCHEMBL19235
ZINC ZINC00517261

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