Bioactive Compound Details

BioIDbio657
NameNone
ChEMBL IDCHEMBL2087548
Molecular FormulaC35H56O7
Molecular Weight588.83
Molecular Weight (Monoisotopic)588.4026
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMakisterone C 2,320,22-Diacetonide
SmilesCC[C@H](C[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
InchiInChI=1S/C35H56O7/c1-11-20(29(2,3)37)16-28-34(10,42-31(6,7)41-28)27-13-15-35(38)22-17-24(36)23-18-25-26(40-30(4,5)39-25)19-32(23,8)21(22)12-14-33(27,35)9/h17,20-21,23,25-28,37-38H,11-16,18-19H2,1-10H3/t20-,21+,23+,25-,26+,27+,28-,32-,33-,34-,35-/m1/s1
Inchi KeyIRWSUZLZJGRFDN-OKPAJNHESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score2.89
Records Key['58']
Records Name['Makisterone C 2,3;20,22-Diacetonide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure