Bioactive Compound Details

BioIDbio869
NameSARCOCRASSOCOLIDE C
ChEMBL IDCHEMBL599008
Molecular FormulaC20H28O4
Molecular Weight332.44
Molecular Weight (Monoisotopic)332.1988
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSarcocrassocolide C
SmilesC=C1C(=O)O[C@H]2C/C(C)=C/CCC(=C)[C@H]3CC[C@@](C)(O3)[C@@H](O)C[C@H]12
InchiInChI=1S/C20H28O4/c1-12-6-5-7-13(2)16-8-9-20(4,24-16)18(21)11-15-14(3)19(22)23-17(15)10-12/h6,15-18,21H,2-3,5,7-11H2,1,4H3/b12-6+/t15-,16-,17+,18+,20-/m1/s1
Inchi KeyHNHDPFYELJZTEZ-CVWJOJEISA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score3.65
Records Key['3']
Records Name['Sarcocrassocolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure