Bioactive Compound Details

BioIDbio1681
NameBRANDISIANIN C
ChEMBL IDCHEMBL403122
Molecular FormulaC22H22O7
Molecular Weight398.41
Molecular Weight (Monoisotopic)398.1366
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBrandisianin C
SmilesCOc1cc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)c(OC)cc1O
InchiInChI=1S/C22H22O7/c1-11(2)5-6-12-15(23)8-17(25)20-21(26)14(10-29-22(12)20)13-7-19(28-4)16(24)9-18(13)27-3/h5,7-10,23-25H,6H2,1-4H3
Inchi KeyNIJHLDLKJBWHOF-UHFFFAOYSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities2.0
Np Likeness Score1.87
Records Key['3']
Records Name['brandisianin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure