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Hygrine; (ξ)-form

AlkaPlorer ID: AK302153

Synonym: None

IUPAC Name: 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one

Structure

SMILES: CC(=O)CC1CCC[NH+]1C

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InChI: InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/p+1

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InChIKey: ADKXZIOQKHHDNQ-UHFFFAOYSA-O

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Erythroxylum Erythroxylaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Hyoscyamus Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Datura Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dendrobium chrysanthum Dendrobium Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None None Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nicandra physalodes Nicandra Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Atropa Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Cochlearia Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None None Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None None Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Physalis Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Erythroxylum coca Erythroxylum Erythroxylaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Convolvulus Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Nicandra Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Datura Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Convolvulus Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 142.222

TPSA？: 21.51

MolLogP？: -0.3573999999999993

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None NON-PROTEIN TARGET Anticonvulsant activity None None 10.1016/s0960-894x(03)00535-3

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010545 CN1CCCC1CC(=O)CC(=O)O>>CC(=O)CC1CCCN1C RXN-22716