Bioactive Compound Details

BioIDbio1824
NameALPNEUMINE C
ChEMBL IDCHEMBL1163798
Molecular FormulaC20H22N2O4
Molecular Weight354.41
Molecular Weight (Monoisotopic)354.158
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAlpneumine C
SmilesCOC(=O)C1=C2Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32
InchiInChI=1S/C20H22N2O4/c1-11(23)13-10-22(25)8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)26-2)12(13)9-16(20)22/h3-6,12-13,16,21H,7-10H2,1-2H3/t12-,13-,16-,20+,22?/m1/s1
Inchi KeyDHECBQUIZKPOOU-GEALIGENSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.11
Records Key['3']
Records Name['Alpneumine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure