Bioactive Compound Details

BioIDbio679
NameCOMAZAPHILONE C
ChEMBL IDCHEMBL1689197
Molecular FormulaC22H24O8
Molecular Weight416.43
Molecular Weight (Monoisotopic)416.1471
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsComazaphilone C
SmilesC/C=C/C1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)c(O)c1OC)[C@H](O)C2
InchiInChI=1S/C22H24O8/c1-5-6-13-8-12-9-16(24)22(3,20(26)14(12)10-29-13)30-21(27)17-11(2)7-15(23)18(25)19(17)28-4/h5-8,16,23-25H,9-10H2,1-4H3/b6-5+/t16-,22-/m1/s1
Inchi KeyBVPLOPDDUJTCFL-JBAXFHHXSA-N
Molecular SpeciesNEUTRAL
Targets11.0
Bioactivities11.0
Np Likeness Score2.41
Records Key['3']
Records Name['Comazaphilone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure