Bioactive Compound Details

BioIDbio1084
NameFERRUGINENE C
ChEMBL IDCHEMBL1775033
Molecular FormulaC22H30O3
Molecular Weight342.48
Molecular Weight (Monoisotopic)342.2195
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsFerruginene C
SmilesC=C(C)C(O)CCC(=C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C)cc1O
InchiInChI=1S/C22H30O3/c1-13(2)19(23)9-7-16(5)17-8-6-14(3)10-18(17)22-20(24)11-15(4)12-21(22)25/h10-12,17-19,23-25H,1,5-9H2,2-4H3/t17-,18+,19?/m0/s1
Inchi KeyLQECQNLKIZLVSL-PAMZHZACSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities8.0
Np Likeness Score2.42
Records Key['3, diastereomeric mixture']
Records Name['Ferruginene C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure