Bioactive Compound Details

BioIDbio1329
NamePENNICITRINONE C
ChEMBL IDCHEMBL458391
Molecular FormulaC23H26O6
Molecular Weight398.46
Molecular Weight (Monoisotopic)398.1729
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPennicitrinone C
SmilesCc1c([C@H](C)[C@H](C)O)c(O)c2oc3cc(=O)c(C)c4c-3c(c2c1O)O[C@H](C)[C@H]4C
InchiInChI=1S/C23H26O6/c1-8(12(5)24)17-11(4)20(26)19-22-18-15(29-23(19)21(17)27)7-14(25)10(3)16(18)9(2)13(6)28-22/h7-9,12-13,24,26-27H,1-6H3/t8-,9-,12+,13-/m1/s1
Inchi KeyHESPWWKIRCFDQL-MNUQUWEESA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score1.99
Records Key['1']
Records Name['pennicitrinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure