Bioactive Compound Details

BioIDbio1728
NamePUBERULIN C
ChEMBL IDCHEMBL519704
Molecular FormulaC22H26O6
Molecular Weight386.44
Molecular Weight (Monoisotopic)386.1729
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPuberulin C
SmilesC=CC[C@]12C=C(OC)C(=O)[C@H]([C@@H](c3ccc(O)c(OC)c3)[C@@H]1C)[C@@H]2OC(C)=O
InchiInChI=1S/C22H26O6/c1-6-9-22-11-17(27-5)20(25)19(21(22)28-13(3)23)18(12(22)2)14-7-8-15(24)16(10-14)26-4/h6-8,10-12,18-19,21,24H,1,9H2,2-5H3/t12-,18+,19-,21-,22-/m0/s1
Inchi KeyZCLWBGXLYWCXHJ-OEYDJLRNSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score2.25
Records Key['3']
Records Name['puberulin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure