Bioactive Compound Details

BioIDbio1339
NameCRASSUMOLIDE C
ChEMBL IDCHEMBL577376
Molecular FormulaC21H28O4
Molecular Weight344.45
Molecular Weight (Monoisotopic)344.1988
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCrassumolide C
SmilesC=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C(=O)OC)CC/C=C(\C)CC[C@@H]12
InchiInChI=1S/C21H28O4/c1-14-7-5-9-17(21(23)24-4)10-6-8-15(2)13-19-18(12-11-14)16(3)20(22)25-19/h7,10,13,18-19H,3,5-6,8-9,11-12H2,1-2,4H3/b14-7+,15-13+,17-10-/t18-,19-/m0/s1
Inchi KeyAPOQWKMQOYCBGK-RPRNLCBVSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities8.0
Np Likeness Score2.58
Records Key['3']
Records Name['Crassumolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure