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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL486625
CHEMBL486625
Compound Name GENISTIN
ChEMBL Synonyms Genistin
Max Phase 0
Trade Names
Molecular Formula C21H20O10

Additional synonyms for CHEMBL486625 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O ...
Download SMILES
Standard InChI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11 ...
Download InChI
Standard InChI Key ZCOLJUOHXJRHDI-CMWLGVBASA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL486625

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
432.4 432.1056 0.21 4 166.14 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 6 1 10 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.12 - .94 -.35 2 31 0.39

Structural Alerts

There are 4 structural alerts for CHEMBL486625. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZCOLJUOHXJRHDI-CMWLGVBASA-N
PubChem SID: 26756939
Wikipedia Genistin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL486625



ACToR 529-59-9
Brenda 123774 11129 30738 4889 34688 123776 24603 17636 49081
ChEBI 27514
eMolecules 514317
EPA CompTox Dashboard DTXSID3022324
FDA SRS 1POG3SCN5T
IBM Patent System F1574E49EAE7FE54F80EBD006873373A
KEGG Ligand C09126
Mcule MCULE-3462482152
MolPort MolPort-001-740-608
Nikkaji J40.719D
PubChem 5281377
PubChem: Thomson Pharma 56418630
SureChEMBL SCHEMBL62148
ZINC ZINC000004097913

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