Bioactive Compound Details

BioIDbio1520
NameEMERICOLIN C
ChEMBL IDCHEMBL485668
Molecular FormulaC25H40O
Molecular Weight356.59
Molecular Weight (Monoisotopic)356.3079
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEmericolin C
SmilesC=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@@H]4[C@H](/C(C)=C\C[C@H]3[C@H]12)[C@H](O)C[C@@H]4C
InchiInChI=1S/C25H40O/c1-15(2)18-9-10-24(5)11-12-25(6)14-19-17(4)13-21(26)22(19)16(3)7-8-20(25)23(18)24/h7,17-23,26H,1,8-14H2,2-6H3/b16-7-/t17-,18+,19-,20-,21+,22-,23-,24-,25+/m0/s1
Inchi KeySASNKCWSBOFUJF-QKWCIUSQSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.13
Records Key['5']
Records Name['Emericolin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure