Bioactive Compound Details

BioIDbio991
NamePAECILOMYCIN C
ChEMBL IDCHEMBL1094199
Molecular FormulaC19H26O9
Molecular Weight398.41
Molecular Weight (Monoisotopic)398.1577
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPaecilomycin C
SmilesCOc1cc(O)c2c(c1)[C@@H]([C@H](O)C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)O)OC2=O
InchiInChI=1S/C19H26O9/c1-9(20)4-3-5-12(21)17(25)14(23)8-15(24)18-11-6-10(27-2)7-13(22)16(11)19(26)28-18/h3,5-7,9,12,14-15,17-18,20-25H,4,8H2,1-2H3/b5-3+/t9-,12-,14-,15+,17+,18-/m0/s1
Inchi KeyHINFKBVOBBHDCP-OSMRJIJKSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score2.34
Records Key['3']
Records Name['Paecilomycin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure