Bioactive Compound Details

BioIDbio356
NameFARNESIFEROL C
ChEMBL IDCHEMBL177697
Molecular FormulaC24H30O4
Molecular Weight382.5
Molecular Weight (Monoisotopic)382.2144
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsFarnesiferol C
SmilesC/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)O2
InchiInChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12+/t20-,21-,24+/m1/s1
Inchi KeyOCHZHKVSLMBEJP-QYQYHAIPSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score2.07
Records Key['3', '9']
Records Name['7-[(E)-3-Methyl-5-((1R,2R)-1,3,3-trimethyl-7-oxa-bicyclo[2.2.1]hept-2-yl)-pent-2-enyloxy]-chromen-2-one', 'farnesiferol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure