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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL487417
CHEMBL487417
Compound Name VITEXIN
ChEMBL Synonyms Vitexin
Max Phase 0
Trade Names
Molecular Formula C21H20O10

Additional synonyms for CHEMBL487417 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3C(=O)C ...
Download SMILES
Standard InChI InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11 ...
Download InChI
Standard InChI Key SGEWCQFRYRRZDC-VPRICQMDSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL487417

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 0.02 3 177.14 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 7 1 10 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.27 - -.01 -1.63 2 31 0.35

Structural Alerts

There are 3 structural alerts for CHEMBL487417. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SGEWCQFRYRRZDC-VPRICQMDSA-N
PubChem SID: 26757021
Wikipedia Vitexin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL487417



ACToR 3681-93-4
BindingDB 50362886
ChEBI 16954
eMolecules 514894
EPA CompTox Dashboard DTXSID90190287
FDA SRS 9VP70K75OK
IBM Patent System 3734E47C94E66B47FD977A77F88A1B4F
KEGG Ligand C01460
Nikkaji J14.961F
PubChem 5280441
PubChem: Thomson Pharma 85179586
SureChEMBL SCHEMBL25277
ZINC ZINC04245684

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