16-Decarbomethoxyvinervinine
AlkaPlorer ID: AK070699
Synonym: '19E,20-Didehydro-12-methoxy-17-norcuran'
IUPAC Name: (1S,9S,11S,12E,17S)-12-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-triene
Structure
SMILES: C/C=C1/CN2CC[C@]34C5=C(N[C@H]3C[C@H]1C[C@H]24)C(OC)=CC=C5
InChI: InChI=1S/C19H24N2O/c1-3-12-11-21-8-7-19-14-5-4-6-15(22-2)18(14)20-16(19)9-13(12)10-17(19)21/h3-6,13,16-17,20H,7-11H2,1-2H3/b12-3-/t13-,16-,17-,19-/m0/s1
InChIKey: AICUDXWZSNYXNE-PPBKKQFESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 296.414
TPSA？: 24.5
MolLogP？: 3.1713000000000013
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 57000.0 | nM | 10.1021/np960070c |