Bioactive Compound Details

BioIDbio756
NameBRASIMARIN C
ChEMBL IDCHEMBL476875
Molecular FormulaC25H24O5
Molecular Weight404.46
Molecular Weight (Monoisotopic)404.1624
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBrasimarin C
SmilesCC(C)=CCc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)[C@H](C)[C@@H](C)O2
InchiInChI=1S/C25H24O5/c1-13(2)10-11-17-23(28)20-18(16-8-6-5-7-9-16)12-19(26)30-25(20)21-22(27)14(3)15(4)29-24(17)21/h5-10,12,14-15,28H,11H2,1-4H3/t14-,15-/m1/s1
Inchi KeyZJXOEBUGDGYYOO-HUUCEWRRSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities11.0
Np Likeness Score1.9
Records Key['4', '10']
Records Name['Brasimarin C', 'Brasimarin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure