huperzine b
AlkaPlorer ID: AK006530
Synonym: 'Huperzine B', '(-)-Huperzine B', 'HUPERZINE B', '(4aR,5R,10bR)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-prop1eno-1,7-phenanthrolin-8(7H)-one', 'Fordimine'
IUPAC Name: (1R,9S,10R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one
Structure
SMILES: CC1=C[C@@H]2CC3=C(C=CC(=O)N3)[C@]3(C1)NCCC[C@H]23
InChI: InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12-,16-/m1/s1
InChIKey: YYWGABLTRMRUIT-XHBSWPGZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycopodiastrum casuarinoides | Lycopodiastrum | Lycopodiaceae | Lycopodiales | Lycopodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 256.34899999999993
TPSA？: 44.89
MolLogP？: 2.0921000000000003
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 2570.0 | nM | 10.1016/j.bmc.2020.115820 |
| Homo sapiens | Butyrylcholinesterase | IC50 | 169000.0 | nM | 10.1016/j.bmc.2020.115820 |