N-Demethylhuperzinine
AlkaPlorer ID: AK056966
Synonym: ''
IUPAC Name: (1R,9R,13R)-13-ethenyl-11-methyl-1-(methylamino)-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
Structure
SMILES: C=C[C@@H]1[C@H]2C=C(C)C[C@]1(NC)C1=CC=C(O)N=C1C2
InChI: InChI=1S/C16H20N2O/c1-4-12-11-7-10(2)9-16(12,17-3)13-5-6-15(19)18-14(13)8-11/h4-7,11-12,17H,1,8-9H2,2-3H3,(H,18,19)/t11-,12+,16+/m0/s1
InChIKey: GSNAOXZKMHHMJN-HWWQOWPSSA-N
Reference
Alkaloids from Lycopodium casuarinoides
PubChem CID: 10264399
LOTUS: LTS0243346
NPASS: NPC259545
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycopodiastrum casuarinoides | Lycopodiastrum | Lycopodiaceae | Lycopodiales | Lycopodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 256.349
TPSA？: 45.15
MolLogP？: 2.5264000000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 15000.0 | nM | 10.1021/np4003355 |
| Mus musculus | Acetylcholinesterase | IC50 | 2000.0 | nM | 10.1021/np4003355 |
| Mus musculus | Butyrylcholinesterase | Activity | nan | None | 10.1021/np50108a021 |
| Rattus norvegicus | Acetylcholinesterase | Inhibition | nan | % | 10.1021/np4003355 |