ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

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
spacer