Bioactive Compound Details

BioIDbio682
NameCRASSIFOLIN C
ChEMBL IDCHEMBL2208212
Molecular FormulaC21H24O5
Molecular Weight356.42
Molecular Weight (Monoisotopic)356.1624
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCrassifolin C
SmilesCOC(=O)[C@@]1(C)CC(=O)C=C2C1=CC[C@@H](C)[C@]2(C)CC(=O)c1ccoc1
InchiInChI=1S/C21H24O5/c1-13-5-6-16-17(9-15(22)10-21(16,3)19(24)25-4)20(13,2)11-18(23)14-7-8-26-12-14/h6-9,12-13H,5,10-11H2,1-4H3/t13-,20+,21+/m1/s1
Inchi KeyTWTOVEROIIRYEO-UBWHGVKJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.17
Records Key['3']
Records Name['Crassifolin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure