Bioactive Compound Details

BioIDbio1114
NameNone
ChEMBL IDCHEMBL1765969
Molecular FormulaC27H38O7
Molecular Weight474.59
Molecular Weight (Monoisotopic)474.2618
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms12O,18O-Diacetylrabdokunmin C 7O,14O-Acetonide
SmilesC=C1C(=O)[C@@]23[C@@H]4OC(C)(C)O[C@@H]2C[C@@H]2[C@@](C)(COC(C)=O)CCC[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)[C@@H]14
InchiInChI=1S/C27H38O7/c1-14-21-17(32-16(3)29)11-19-26(7)10-8-9-25(6,13-31-15(2)28)18(26)12-20-27(19,22(14)30)23(21)34-24(4,5)33-20/h17-21,23H,1,8-13H2,2-7H3/t17-,18+,19-,20+,21+,23+,25+,26+,27-/m0/s1
Inchi KeyZOHYLALNHFKRQH-BTYPCQLCSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score2.97
Records Key['4']
Records Name['12o,18o-diacetylrabdokunmin C 7o,14o-acetonide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure