Bioactive Compound Details

BioIDbio743
NameCRASSALACTONE C (ENANTIOMERIC MIX)
ChEMBL IDCHEMBL465361
Molecular FormulaC22H20O6
Molecular Weight380.4
Molecular Weight (Monoisotopic)380.126
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms(+)-Crassalactone C|(-)-Crassalactone C
SmilesO=C(/C=C/c1ccccc1)O[C@@H](c1ccccc1)[C@@H]1O[C@H]2CC(=O)O[C@H]2[C@@H]1O
InchiInChI=1S/C22H20O6/c23-17(12-11-14-7-3-1-4-8-14)27-20(15-9-5-2-6-10-15)22-19(25)21-16(26-22)13-18(24)28-21/h1-12,16,19-22,25H,13H2/b12-11+/t16-,19-,20-,21+,22+/m0/s1
Inchi KeyGDYNBHXFRSGEGM-GVUDQUTJSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score1.57
Records Key['ent-2']
Records Name['(-)-crassalactone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure