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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9509
CHEMBL9509
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H22O10

Additional synonyms for CHEMBL9509 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(ccc1O)C2Oc3cc(ccc3OC2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@ ...
Download SMILES
Standard InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33 ...
Download InChI
Standard InChI Key SEBFKMXJBCUCAI-DBMPWETRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL9509

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
482.4 482.1213 2.36 4 155.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.39 - 4.23 3.73 3 35 0.37

Structural Alerts

There are 3 structural alerts for CHEMBL9509. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SEBFKMXJBCUCAI-DBMPWETRSA-N
Wikipedia Silibinin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9509



eMolecules 12742448
MolPort MolPort-042-665-880
Nikkaji J2.972.067C
PubChem 3086637
PubChem: Thomson Pharma 96075946
SureChEMBL SCHEMBL14270800

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