Bioactive Compound Details

BioIDbio1148
NameDOITUNGGARCINONE C
ChEMBL IDCHEMBL2147807
Molecular FormulaC25H28O6
Molecular Weight424.49
Molecular Weight (Monoisotopic)424.1886
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDoitunggarcinone C
SmilesCOc1c(CC=C(C)C)c(O)c2c(=O)c3ccc(O)c(OC)c3oc2c1CC=C(C)C
InchiInChI=1S/C25H28O6/c1-13(2)7-9-15-20(27)19-21(28)16-11-12-18(26)25(30-6)24(16)31-23(19)17(22(15)29-5)10-8-14(3)4/h7-8,11-12,26-27H,9-10H2,1-6H3
Inchi KeyDNJPXVPGCXVCOK-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score1.81
Records Key['3']
Records Name['doitunggarcinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure