Bioactive Compound Details

BioIDbio592
NameTROGOPTEROID C
ChEMBL IDCHEMBL1095113
Molecular FormulaC20H28O3
Molecular Weight316.44
Molecular Weight (Monoisotopic)316.2038
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTrogopteroid C
SmilesC=C[C@]1(C)CC2(O)CC[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@H]2CC1=O
InchiInChI=1S/C20H28O3/c1-6-18(4)12-20(23)10-7-13-17(2,3)15(21)8-9-19(13,5)14(20)11-16(18)22/h6,8-9,13-14,23H,1,7,10-12H2,2-5H3/t13-,14+,18+,19-,20?/m0/s1
Inchi KeyMFCIBZRSHPNCSK-DTQYSHRGSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score3.33
Records Key['3, Trogopteroid C']
Records Name['8zeta-hydroxy-1,15-isopimaradiene-3,12-dione']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure