VITEXIN

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII 9VP70K75OK
EPA CompTox DTXSID90190287
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key SGEWCQFRYRRZDC-VPRICQMDSA-N
Smiles OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)cc4
InChI
InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20O10
Molecular Weight 432.38
AlogP 0.02
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 3.0
Polar Surface Area 177.14
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 2030 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 2030 - - -

Cross References

Resources Reference
CAS NUMBER 3681-93-4
ChEMBL CHEMBL487417
FDA SRS 9VP70K75OK
PubChem 5280441
SureChEMBL SCHEMBL25277
ZINC ZINC04245684
CONTENTS