Bioactive Compound Details

BioIDbio1820
NameACRONYCULATIN C
ChEMBL IDCHEMBL457947
Molecular FormulaC19H26O5
Molecular Weight334.41
Molecular Weight (Monoisotopic)334.178
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsacronyculatin C
SmilesCOc1c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c1C(C)=O
InchiInChI=1S/C19H26O5/c1-10(2)7-8-13-17(22)16(14(21)9-11(3)4)18(23)15(12(5)20)19(13)24-6/h7,11,22-23H,8-9H2,1-6H3
Inchi KeyZTJWTHCRXKCBJH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.81
Records Key['3, acronyculatin C']
Records Name[1-[2',4'-dihydroxy-6'-methoxy-3'-(3'''-methylbutanoyl)-5'-(3''-methylbut-2''-enyl)]acetophenone"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure