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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
ChemicalBook CB0730880
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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