Bioactive Compound Details

BioIDbio82
NameHYOUSTERONE C
ChEMBL IDCHEMBL398649
Molecular FormulaC27H42O6
Molecular Weight462.63
Molecular Weight (Monoisotopic)462.2981
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsHyousterone C
SmilesC[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3(O)CC[C@]12C
InchiInChI=1S/C27H42O6/c1-16(7-6-9-23(2,3)31)17-8-10-26(32)22-14-19(28)18-13-20(29)21(30)15-25(18,5)27(22,33)12-11-24(17,26)4/h13-14,16-17,20-21,29-33H,6-12,15H2,1-5H3/t16-,17-,20+,21-,24-,25+,26-,27-/m1/s1
Inchi KeyFTLSNJYQNPACDY-IXPAMECOSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.11
Records Key['4']
Records Name['hyousterone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure