Bioactive Compound Details

BioIDbio1604
NameXANTHOHUMOL C
ChEMBL IDCHEMBL479351
Molecular FormulaC21H20O5
Molecular Weight352.39
Molecular Weight (Monoisotopic)352.1311
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsXanthohumol C
SmilesCOc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1)C=CC(C)(C)O2
InchiInChI=1S/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+
Inchi KeyCVMUWVCGBFJJFI-RMKNXTFCSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities23.0
Np Likeness Score1.95
Records Key['9', '5', 'DX', 'II', '1']
Records Name['Xanthohumol C', 'Xanthohumol C', 'Dehydrocycloxanthohurmol', 'Xanthohumol C', 'Xanthohumol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure