Bioactive Compound Details

BioIDbio190
NameSIKKIMENOID C
ChEMBL IDCHEMBL2334875
Molecular FormulaC20H26O3
Molecular Weight314.43
Molecular Weight (Monoisotopic)314.1882
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSikkimenoid C
SmilesC=C1CC[C@H]2[C@@H]([C@@H]3[C@@H]1C1=C(C[C@](C)(O)C1=O)C(=O)[C@H]3C)C2(C)C
InchiInChI=1S/C20H26O3/c1-9-6-7-12-16(19(12,3)4)14-10(2)17(21)11-8-20(5,23)18(22)15(11)13(9)14/h10,12-14,16,23H,1,6-8H2,2-5H3/t10-,12-,13+,14-,16-,20-/m0/s1
Inchi KeyAKYCTHTXCPVVOB-STPYIFJPSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.04
Records Key['3']
Records Name['Sikkimenoid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure