Bioactive Compound Details

BioIDbio1397
NameGYMNASTERONE C
ChEMBL IDCHEMBL251667
Molecular FormulaC28H40O2
Molecular Weight408.63
Molecular Weight (Monoisotopic)408.3028
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGymnasterone C
SmilesCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)C2=C3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InchiInChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)24-16-25(30)26-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h7-10,15,17-19,21,23-24,29H,11-14,16H2,1-6H3/b8-7+/t18-,19+,21-,23-,24+,27-,28+/m0/s1
Inchi KeyXRXZKBAAJAKIMB-AXOAYYPZSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.91
Records Key['6']
Records Name['gymnasterone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure