Bioactive Compound Details

BioIDbio341
NameDENDRONESTERONE C
ChEMBL IDCHEMBL457600
Molecular FormulaC27H40O
Molecular Weight380.62
Molecular Weight (Monoisotopic)380.3079
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDendronesterone C
SmilesCC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
InchiInChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22+,23-,24+,25+,26+,27-/m1/s1
Inchi KeyAJWONNNXQUONDT-UAJHHUEASA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities6.0
Np Likeness Score2.88
Records Key['3', '11']
Records Name['Dendronesterone C', 'cholesta-1,4,22-trien-3-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure