Bioactive Compound Details

BioIDbio194
NameTAIWANIAQUINOL C
ChEMBL IDCHEMBL1088041
Molecular FormulaC21H30O4
Molecular Weight346.47
Molecular Weight (Monoisotopic)346.2144
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTaiwaniaquinol C
SmilesCOc1c(O)c2c(c(O)c1C(C)C)[C@@H](C=O)[C@H]1C(C)(C)CCC[C@]21C
InchiInChI=1S/C21H30O4/c1-11(2)13-16(23)14-12(10-22)19-20(3,4)8-7-9-21(19,5)15(14)17(24)18(13)25-6/h10-12,19,23-24H,7-9H2,1-6H3/t12-,19+,21-/m1/s1
Inchi KeyIHSCVTPHQHBWMZ-ZPDQPEGFSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.51
Records Key['13']
Records Name['Taiwaniaquinol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure