Bioactive Compound Details

BioIDbio1807
NameNone
ChEMBL IDCHEMBL2164946
Molecular FormulaC22H24O7
Molecular Weight400.43
Molecular Weight (Monoisotopic)400.1522
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms7-O-Acetylsecopenicillide C
SmilesCC(=O)OCc1cc(C)cc(O)c1Oc1ccc(CC=C(C)C)c(O)c1C(=O)O
InchiInChI=1S/C22H24O7/c1-12(2)5-6-15-7-8-18(19(20(15)25)22(26)27)29-21-16(11-28-14(4)23)9-13(3)10-17(21)24/h5,7-10,24-25H,6,11H2,1-4H3,(H,26,27)
Inchi KeyBSFKPIFPKWVNTR-UHFFFAOYSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities2.0
Np Likeness Score1.37
Records Key['5']
Records Name['7-O-Acetylsecopenicillide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure