Bioactive Compound Details

BioIDbio1574
NameALSTONIAPHYLLINE C
ChEMBL IDCHEMBL2332137
Molecular FormulaC20H24N2O3
Molecular Weight340.42
Molecular Weight (Monoisotopic)340.1787
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAlstoniaphylline C
SmilesC[C@@H]1OC[C@@H]2[C@@H](C[C@H]3C4=Nc5ccccc5C4=C[C@@H]2[N+]3(C)[O-])[C@@H]1CO
InchiInChI=1S/C20H24N2O3/c1-11-15(9-23)13-7-19-20-14(12-5-3-4-6-17(12)21-20)8-18(22(19,2)24)16(13)10-25-11/h3-6,8,11,13,15-16,18-19,23H,7,9-10H2,1-2H3/t11-,13-,15+,16+,18-,19-,22?/m0/s1
Inchi KeyQBRLCJAKAJZYTI-YJJBEWBRSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.22
Records Key['4']
Records Name['Alstoniaphylline C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure