Physostigmine; N1-De-Me, N1-(methylaminocarbonyl)
AlkaPlorer ID: AK310417
Synonym: Eseramine
IUPAC Name: [4,8b-dimethyl-3-(methylcarbamoyl)-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(O)=NC)C1N2C
InChI: InChI=1S/C16H22N4O3/c1-16-7-8-20(14(21)17-2)13(16)19(4)12-6-5-10(9-11(12)16)23-15(22)18-3/h5-6,9,13H,7-8H2,1-4H3,(H,17,21)(H,18,22)
InChIKey: PYEMNABYODPRPP-UHFFFAOYSA-N
Reference
286. Alkaloids of Physostigma venenosum. Part I. The structure of physovenine
PubChem CID: 621491
CAS: 6091-57-2
LOTUS: LTS0110169
COCONUT: CNP0305870.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Physostigma venenosum | Physostigma | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 318.377
TPSA？: 80.89
MolLogP？: 1.8923000000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|