Bioactive Compound Details

BioIDbio1549
NameLITSEAEFOLOSIDE C
ChEMBL IDCHEMBL506203
Molecular FormulaC30H30O14
Molecular Weight614.56
Molecular Weight (Monoisotopic)614.1636
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymslitseaefoloside C
SmilesCOc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)ccc1O
InchiInChI=1S/C30H30O14/c1-40-23-12-17(5-7-19(23)32)29(39)42-13-16-3-8-22(21(34)11-16)43-30-28(38)27(37)26(36)24(44-30)14-41-25(35)9-4-15-2-6-18(31)20(33)10-15/h2-12,24,26-28,30-34,36-38H,13-14H2,1H3/b9-4+/t24-,26-,27+,28-,30-/m1/s1
Inchi KeyIMVLKRZWKQBCNJ-ZAHDVKFQSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.19
Records Key['3, litseaefoloside C']
Records Name['3-hydroxy-4-O-beta-D-(6-O-caffeoylglucopyranosyl)benzyl vanilloate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure