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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL109266
CHEMBL109266
Compound Name RHAPONTIN
ChEMBL Synonyms Rhapontin | Rhaponticin
Max Phase 0
Trade Names
Molecular Formula C21H24O9

Additional synonyms for CHEMBL109266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C ...
Download SMILES
Standard InChI InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23) ...
Download InChI
Standard InChI Key GKAJCVFOJGXVIA-DXKBKAGUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL109266

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
420.4 420.142 1.14 6 149.07 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 6 1 9 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.16 - .19 .18 2 30 0.38

Structural Alerts

There are 4 structural alerts for CHEMBL109266. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GKAJCVFOJGXVIA-DXKBKAGUSA-N
Wikipedia Rhaponticin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL109266



ChEBI 8824
FDA SRS K691M2Z08V
KEGG Ligand C10288
LINCS LSM-42872
LipidMaps LMPK13090002
MolPort MolPort-003-666-052
Nikkaji J193.662J
NMRShiftDB 10010464
PubChem 637213
PubChem: Thomson Pharma 14904803
SureChEMBL SCHEMBL160068
ZINC ZINC000003983954

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