Bioactive Compound Details

BioIDbio1245
NameSTAGONOLIDE C
ChEMBL IDCHEMBL256552
Molecular FormulaC10H16O4
Molecular Weight200.23
Molecular Weight (Monoisotopic)200.1049
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsstagonolide C
SmilesC[C@@H]1C[C@H](O)/C=C/[C@@H](O)CCC(=O)O1
InchiInChI=1S/C10H16O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-3,7-9,11-12H,4-6H2,1H3/b3-2+/t7-,8-,9-/m1/s1
Inchi KeyDKWZZACTRIWLJJ-BKTAMIDGSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score2.68
Records Key['3, stagonolide C']
Records Name['(5alpha,8beta,10beta)-5,8-dihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-oxecin-2-one:']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure