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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL312163
CHEMBL312163
Compound Name RHAMNETIN
ChEMBL Synonyms NSC-19802
Max Phase 0
Trade Names
Molecular Formula C16H12O7

Additional synonyms for CHEMBL312163 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
Standard InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(1 ...
Download InChI
Standard InChI Key JGUZGNYPMHHYRK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL312163

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 2.29 2 120.36 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
6.15 - 2.8 1.59 3 23 0.54

Structural Alerts

There are 6 structural alerts for CHEMBL312163. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JGUZGNYPMHHYRK-UHFFFAOYSA-N
PubChem SID: 26749636 SID: 26753759 SID: 82596

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL312163



ACToR 90-19-7
BindingDB 23410
Brenda 6589 50590 40201
ChEBI 74992
eMolecules 485764
EPA CompTox Dashboard DTXSID40237979
FDA SRS 71803L5F4S
Human Metabolome Database HMDB0133823
IBM Patent System E9693013ADDC2FD96C4E657FF7AC04EE
KEGG Ligand C10176
LINCS LSM-2821
LipidMaps LMPK12112624
Metabolights MTBLC74992
MolPort MolPort-003-665-818
Nikkaji J3.912H
PubChem 5281691
PubChem: Thomson Pharma 14825917
SureChEMBL SCHEMBL555118
ZINC ZINC000003875620

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