Bioactive Compound Details

BioIDbio1420
NameFUKANEDONE C
ChEMBL IDCHEMBL480489
Molecular FormulaC24H30O6
Molecular Weight414.5
Molecular Weight (Monoisotopic)414.2042
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsfukanedone C
SmilesCC(C)=CC(=O)/C=C(\C)CCC[C@@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1C
InchiInChI=1S/C24H30O6/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21(23(29)30-24)22(28)19-9-8-17(25)13-20(19)27/h8-9,11-13,16,21,25,27H,6-7,10H2,1-5H3/b15-12+/t16-,21+,24-/m1/s1
Inchi KeyOFAXVXGIEWFHQV-UZJAXVDTSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.04
Records Key['3, fukanedone C']
Records Name['3S*-(2,4-dihydroxybenzoyl)-4R*,5R*-dimethyl-5-[4,8-dimethyl-4(E)-7-nonadien-6-onyl]tetrahydro-2-furanone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure