Bioactive Compound Details

BioIDbio199432
NameNone
ChEMBL IDCHEMBL445952
Molecular FormulaC28H24O14
Molecular Weight584.49
Molecular Weight (Monoisotopic)584.1166
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsAfzelin 2'-O-Gallate
SmilesC[C@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H]1O
InchiInChI=1S/C28H24O14/c1-10-20(34)23(37)26(41-27(38)12-6-16(32)21(35)17(33)7-12)28(39-10)42-25-22(36)19-15(31)8-14(30)9-18(19)40-24(25)11-2-4-13(29)5-3-11/h2-10,20,23,26,28-35,37H,1H3/t10-,20+,23+,26+,28-/m1/s1
Inchi KeyFVKKBNYMTGCECN-YEAZACHOSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities4.0
Np Likeness Score1.87
Records Key[afzelin 2''-O-gallate"]"
Records Name[afzelin 2''-O-gallate"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure