Bioactive Compound Details

BioIDbio127
NameSTYRAXLIGNOLIDE C
ChEMBL IDCHEMBL486465
Molecular FormulaC26H32O11
Molecular Weight520.53
Molecular Weight (Monoisotopic)520.1945
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsStyraxlignolide C
SmilesCOc1ccc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1O
InchiInChI=1S/C26H32O11/c1-33-18-5-3-14(9-17(18)28)8-16-15(12-35-25(16)32)7-13-4-6-19(20(10-13)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21-,22-,23+,24-,26-/m1/s1
Inchi KeyQUUIVLXTYGZTRK-ZQJJHTFWSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.89
Records Key['2, Styraxlignolide C']
Records Name[(2S,3S)-2alpha-(3''-hydroxy-4''-methoxybenzyl)-3beta-(4'-hydroxy-3'-methoxybenzyl)-gamma-butyrolactone 4'-O-(beta-D-glucopyranoside)"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure