Bioactive Compound Details

BioIDbio910
NameINUCHINENOLIDE C
ChEMBL IDCHEMBL411908
Molecular FormulaC19H26O7
Molecular Weight366.41
Molecular Weight (Monoisotopic)366.1679
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsInuchinenolide C
SmilesC=C1C(=O)O[C@H]2C[C@H](C)[C@@H]3C(OC(C)=O)CC(OC(C)=O)[C@@]3(C)[C@@H](O)[C@H]12
InchiInChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(22)19(5)14(25-11(4)21)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12-,13?,14?,15+,16+,17-,19+/m0/s1
Inchi KeyQFJNAUKGMNMIGV-YRBNLPDFSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score3.26
Records Key['50', '22']
Records Name['inuchinenolide C', 'Inuchinenolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure