Bioactive Compound Details

BioIDbio1469
NameYEMENINE C
ChEMBL IDCHEMBL469647
Molecular FormulaC16H17NO5
Molecular Weight303.31
Molecular Weight (Monoisotopic)303.1107
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsYemenine C
SmilesOC1c2cc3c(cc2[C@]24C=C[C@@H](O)C[C@@H]2N1C[C@H]4O)OCO3
InchiInChI=1S/C16H17NO5/c18-8-1-2-16-10-5-12-11(21-7-22-12)4-9(10)15(20)17(6-14(16)19)13(16)3-8/h1-2,4-5,8,13-15,18-20H,3,6-7H2/t8-,13+,14-,15?,16-/m1/s1
Inchi KeyRBDSXRNUXSBSRU-QJFMRHECSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities10.0
Np Likeness Score2.52
Records Key['3, epimeric mixture']
Records Name['yemenine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure