Bioactive Compound Details

BioIDbio1805
NamePAEONENOIDE C
ChEMBL IDCHEMBL1835436
Molecular FormulaC28H42O4
Molecular Weight442.64
Molecular Weight (Monoisotopic)442.3083
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPaeonenoide C
SmilesC=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1
InchiInChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1
Inchi KeyVIDISXWZNJLDBI-IDEZQVRVSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score3.58
Records Key['paeonenoide C']
Records Name['paeonenoide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure