Bioactive Compound Details

BioIDbio633
NameKADSUPHILOL C
ChEMBL IDCHEMBL228431
Molecular FormulaC32H36O11
Molecular Weight596.63
Molecular Weight (Monoisotopic)596.2258
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsKadsuphilol C
SmilesC/C=C(\C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)[C@H](OC(=O)/C(C)=C/C)[C@@]2(CO2)[C@H]1C)OCO3
InchiInChI=1S/C32H36O11/c1-9-15(3)30(34)42-25-17(5)32(13-41-32)29(43-31(35)16(4)10-2)19-12-20(36-6)26(37-7)24(33)22(19)23-18(25)11-21-27(28(23)38-8)40-14-39-21/h9-12,17,25,29,33H,13-14H2,1-8H3/b15-9+,16-10+/t17-,25+,29-,32+/m0/s1
Inchi KeyXPYQWRKLVQXURR-GVWNOBIUSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities5.0
Np Likeness Score2.15
Records Key['3']
Records Name['kadsuphilol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure