physostigmine
AlkaPlorer ID: AK003636
Synonym: 'Antilirium', 'MLS001304022', 'Physostol', 'MLS000028388', 'SMR000718753', 'MLSMR', 'physostigmine', 'Physostigmine', 'Eserine', 'PHYSOSTIGMINE SALICYLATE', 'Eserin; Physostigmine', 'SMR000058606'
IUPAC Name: [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
Structure
SMILES: CN=C(O)OC1=CC=C2C(=C1)[C@]1(C)CCN(C)C1N2C
InChI: InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m0/s1
InChIKey: PIJVFDBKTWXHHD-WUJWULDRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhamnus virgata | Rhamnus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Rheum palmatum | Rheum | Polygonaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 275.352
TPSA？: 48.30000000000001
MolLogP？: 1.9783
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | logIC50 | 1.45 | None | 10.1021/jm100573q |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |