Bioactive Compound Details

BioIDbio1529
NameEPOXIDESCHISANDRIN C
ChEMBL IDCHEMBL464849
Molecular FormulaC22H22O7
Molecular Weight398.41
Molecular Weight (Monoisotopic)398.1366
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEpoxideschisandrin C
SmilesCOc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H]1O[C@H]3[C@H](C)[C@@H]1C)OCO2
InchiInChI=1S/C22H22O7/c1-9-10(2)18-12-6-14-20(28-8-26-14)22(24-4)16(12)15-11(17(9)29-18)5-13-19(21(15)23-3)27-7-25-13/h5-6,9-10,17-18H,7-8H2,1-4H3/t9-,10+,17+,18-
Inchi KeyCYJVZLGKOMMOJB-AKTMJFKJSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.28
Records Key['22']
Records Name['epoxideschisandrin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure