Bioactive Compound Details

BioIDbio763
NameLIGUROBUSTOSIDE C
ChEMBL IDCHEMBL509030
Molecular FormulaC31H44O12
Molecular Weight608.68
Molecular Weight (Monoisotopic)608.2833
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLigurobustoside C
SmilesCC(C)=CCC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O
InchiInChI=1S/C31H44O12/c1-17(2)6-5-7-18(3)14-15-39-30-27(38)29(43-31-26(37)25(36)24(35)19(4)40-31)28(22(16-32)41-30)42-23(34)13-10-20-8-11-21(33)12-9-20/h6,8-14,19,22,24-33,35-38H,5,7,15-16H2,1-4H3/b13-10+,18-14+/t19-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1
Inchi KeySWJOMZRFHWDJCX-FNGLMVHISA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.23
Records Key['9']
Records Name['ligurobustoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure