Physostigmine; Salicylate (1:1)
AlkaPlorer ID: AK310414
Synonym: Physostigmine salicylate, Antilirium, Eserocil, Esromistin, Fisostin, Zem-Eserine, Many other names
IUPAC Name: (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)C1(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)
InChIKey: PIJVFDBKTWXHHD-UHFFFAOYSA-N
Reference
Physostigmine and N8-norphysostigmine, insecticidal compounds, from Streptomyces sp.
PubChem CID: 4811
CAS: 57-47-6
LOTUS: LTS0126276
NPASS: NPC315498
COCONUT: CNP0185906.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Physostigma venenosum | Physostigma | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Streptomyces pseudogriseolus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
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 |
|---|---|---|---|---|---|
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 50000.0 | nM | None |
| Homo sapiens | Bile salt export pump | IC50 | 1000000.0 | nM | 10.1124/dmd.112.047068 |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 100000.0 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 35481.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 23715.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29855.4 | nM | None |