Bioactive Compound Details

BioIDbio1690
NameNone
ChEMBL IDCHEMBL1923037
Molecular FormulaC26H38O9
Molecular Weight494.58
Molecular Weight (Monoisotopic)494.2516
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRel-Klymollin C
SmilesC=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(CO4)[C@@H]32)[C@](C)(OC(C)=O)CC[C@@H]1O
InchiInChI=1S/C26H38O9/c1-12(2)19-20-21(26(11-31-26)24(33-15(5)28)22(19)32-14(4)27)18-10-13(3)17(30)8-9-25(7,23(20)34-18)35-16(6)29/h12,17-24,30H,3,8-11H2,1-2,4-7H3/t17-,18+,19+,20+,21+,22-,23+,24-,25+,26+/m0/s1
Inchi KeyIJXBJCLCYUSOPN-YRLDIHFHSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score3.37
Records Key['3']
Records Name['rel-klymollin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure