Bioactive Compound Details

BioIDbio778
NameCHLOROHYSSOPIFOLIN C
ChEMBL IDCHEMBL520522
Molecular FormulaC19H23ClO7
Molecular Weight398.84
Molecular Weight (Monoisotopic)398.1132
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsChlorohyssopifolin C
SmilesC=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@](C)(O)CCl)CC(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21
InchiInChI=1S/C19H23ClO7/c1-8-4-11(26-17(23)18(3,24)6-20)13-9(2)16(22)27-15(13)14-10(8)5-12(21)19(14)7-25-19/h10-15,21,24H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15-,18+,19+/m0/s1
Inchi KeyRFRUYYQMUJRBAN-ONCJGSTBSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score3.44
Records Key['2']
Records Name['Chlorohyssopifolin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure