Bioactive Compound Details

BioIDbio621
NameEUPAKIRUNSIN C
ChEMBL IDCHEMBL463542
Molecular FormulaC20H26O7
Molecular Weight378.42
Molecular Weight (Monoisotopic)378.1679
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymseupakirunsin C
SmilesC=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C[C@H](C)[C@H](O)CC(=O)[C@]1(C)O[C@H]21
InchiInChI=1S/C20H26O7/c1-6-9(2)18(23)25-13-7-10(3)12(21)8-14(22)20(5)17(27-20)16-15(13)11(4)19(24)26-16/h6,10,12-13,15-17,21H,4,7-8H2,1-3,5H3/b9-6+/t10-,12+,13+,15+,16-,17+,20-/m0/s1
Inchi KeyYUWCUOUEUVQUHS-GNNQSOIHSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score3.45
Records Key['3, eupakirunsin C']
Records Name['8beta-tigloyloxy-1beta-hydroxy-3-oxo-4beta,5-epoxy-6betaH,7alphaH-germacra-11(13)-en-6,12-olide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure