Bioactive Compound Details

BioIDbio819
NameKHAINAOSIDE C
ChEMBL IDCHEMBL1087168
Molecular FormulaC25H28O11
Molecular Weight504.49
Molecular Weight (Monoisotopic)504.1632
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCOc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C25H28O11/c1-33-19-12-14(3-2-10-26)5-8-18(19)35-25-24(32)23(31)22(30)20(36-25)13-34-21(29)9-6-15-4-7-16(27)17(28)11-15/h2-9,11-12,20,22-28,30-32H,10,13H2,1H3/b3-2+,9-6+/t20-,22-,23+,24-,25-/m1/s1
Inchi KeyOVXNLDIJUODSJZ-WNTHUPNMSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities9.0
Np Likeness Score1.66
Records Key['16, Khainaoside C']
Records Name['{3-methoxy-4-[(6-O-(E)-caffeoyl)-beta-D-glucopyranosyl]}phenyl-1-propen-3-ol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure