Bioactive Compound Details

BioIDbio469
NamePENICACID C
ChEMBL IDCHEMBL2017526
Molecular FormulaC17H22O9
Molecular Weight370.35
Molecular Weight (Monoisotopic)370.1264
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPenicacid C
SmilesCOc1c(C)c2c(c(O)c1CC(O)C(C)(O)C(O)CC(=O)O)C(=O)OC2
InchiInChI=1S/C17H22O9/c1-7-9-6-26-16(23)13(9)14(22)8(15(7)25-3)4-10(18)17(2,24)11(19)5-12(20)21/h10-11,18-19,22,24H,4-6H2,1-3H3,(H,20,21)
Inchi KeyHACULPQANLUFJL-UHFFFAOYSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities2.0
Np Likeness Score1.31
Records Key['3']
Records Name['Penic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure