Bioactive Compound Details

BioIDbio1676
NameLEHUALIDE C
ChEMBL IDCHEMBL463505
Molecular FormulaC23H36O5S
Molecular Weight424.6
Molecular Weight (Monoisotopic)424.2283
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLehualide C
SmilesCOc1oc(C/C=C(\C)CCCCCCCCCSC(C)=O)c(C)c(=O)c1OC
InchiInChI=1S/C23H36O5S/c1-17(13-11-9-7-6-8-10-12-16-29-19(3)24)14-15-20-18(2)21(25)22(26-4)23(27-5)28-20/h14H,6-13,15-16H2,1-5H3/b17-14+
Inchi KeyJETGOHMWHVGCPY-SAPNQHFASA-N
Molecular SpeciesNone
Targets1.0
Bioactivities1.0
Np Likeness Score1.53
Records Key['3']
Records Name['lehualide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure