Bioactive Compound Details

BioIDbio56
NameFORTUNIN C
ChEMBL IDCHEMBL470291
Molecular FormulaC22H34O4
Molecular Weight362.51
Molecular Weight (Monoisotopic)362.2457
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsFortunin C
SmilesCOc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC
InchiInChI=1S/C22H34O4/c1-12(2)13-11-14-15(16(23)18(13)25-6)22(5)10-8-9-21(3,4)20(22)17(24)19(14)26-7/h11-12,17,19-20,23-24H,8-10H2,1-7H3/t17-,19+,20-,22+/m0/s1
Inchi KeyHSNPSWRYBNJNOF-ZJDLJICXSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities5.0
Np Likeness Score2.6
Records Key['3, Fortunin C']
Records Name['6alpha,11-dihydrxy-7beta,12-dimethoxyabieta-8,11,13-triene']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure