Bioactive Compound Details

BioIDbio1235
NameARISTOPHYLLIDE C
ChEMBL IDCHEMBL454825
Molecular FormulaC31H29NO7
Molecular Weight527.57
Molecular Weight (Monoisotopic)527.1944
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAristophyllide C
SmilesC=C[C@@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@H]1C(=C)C=O
InchiInChI=1S/C31H29NO7/c1-5-31(4)12-8-10-21(28(31)18(2)16-33)13-19(3)39-30(34)23-15-25-29(38-17-37-25)27-22-11-7-6-9-20(22)14-24(26(23)27)32(35)36/h5-7,9-11,14-16,19,28H,1-2,8,12-13,17H2,3-4H3/t19-,28+,31-/m0/s1
Inchi KeyIIBMSRRBRIHDMP-GOVLGDJKSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.52
Records Key['3']
Records Name['Aristophyllide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure