Bioactive Compound Details

BioIDbio536
NamePYCNANTHULIGNENE C
ChEMBL IDCHEMBL1087928
Molecular FormulaC20H18O3
Molecular Weight306.36
Molecular Weight (Monoisotopic)306.1256
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPycnanthulignene C
SmilesCOc1ccc(-c2c(C)c(C)cc3cc4c(cc23)OCO4)cc1
InchiInChI=1S/C20H18O3/c1-12-8-15-9-18-19(23-11-22-18)10-17(15)20(13(12)2)14-4-6-16(21-3)7-5-14/h4-10H,11H2,1-3H3
Inchi KeyHKIGNPHXMNCBCA-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets9.0
Bioactivities18.0
Np Likeness Score0.32
Records Key['3']
Records Name['pycnanthulignene C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure