Bioactive Compound Details

BioIDbio755
NameXESTODECALACTONE C
ChEMBL IDCHEMBL450697
Molecular FormulaC14H16O6
Molecular Weight280.28
Molecular Weight (Monoisotopic)280.0947
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsXestodecalactone C
SmilesC[C@H]1C[C@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1
InchiInChI=1S/C14H16O6/c1-7-2-9(15)5-11(17)14-8(4-13(19)20-7)3-10(16)6-12(14)18/h3,6-7,9,15-16,18H,2,4-5H2,1H3/t7-,9-/m0/s1
Inchi KeyOESLECARYLNMSC-CBAPKCEASA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score2.43
Records Key['2b']
Records Name['Xestodecalactone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure