Bioactive Compound Details

BioIDbio1181
NameFOMITELLIC ACID C
ChEMBL IDCHEMBL517801
Molecular FormulaC31H48O6
Molecular Weight516.72
Molecular Weight (Monoisotopic)516.3451
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsFomitellic Acid C
SmilesCO[C@@H]1C[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]2(C)C2=C1[C@]1(C)[C@@H](CC2=O)[C@@](C)(C(=O)O)[C@@H](O)C[C@H]1O
InchiInChI=1S/C31H48O6/c1-17(2)10-9-11-18(3)19-12-13-28(4)25-20(32)14-22-30(6,26(25)21(37-8)16-29(19,28)5)23(33)15-24(34)31(22,7)27(35)36/h10,18-19,21-24,33-34H,9,11-16H2,1-8H3,(H,35,36)/t18-,19-,21-,22-,23-,24+,28+,29-,30-,31-/m1/s1
Inchi KeyIDJOIVLQLLXEIY-LNCPFJTHSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities2.0
Np Likeness Score3.15
Records Key['3']
Records Name['Fomitellic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure