Bioactive Compound Details

BioIDbio1569
NameBULBINELONESIDE C
ChEMBL IDCHEMBL456867
Molecular FormulaC28H24O12
Molecular Weight552.49
Molecular Weight (Monoisotopic)552.1268
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBulbineloneside C
SmilesCC(=O)c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O
InchiInChI=1S/C28H24O12/c1-9-6-13(31)21-22(23(34)11-4-3-5-12(30)19(11)26(21)37)17(9)20-14(32)7-16(18(10(2)29)25(20)36)40-28-27(38)24(35)15(33)8-39-28/h3-7,15,24,27-28,30-33,35-36,38H,8H2,1-2H3/t15-,24+,27-,28+/m1/s1
Inchi KeyAZYAWCYACHXAHP-UCKGPBDVSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.67
Records Key['3, Bulbineloneside C']
Records Name[(-)-P-4'-demethylknipholone 4'-O-beta-D-xylopyranoside"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure