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name Structure Reference Source Properties Activities Metabolism

stachydrine

AlkaPlorer ID: AK319592

Synonym: None

IUPAC Name: (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

Structure

SMILES: C[N+]1(C)CCC[C@H]1C(=O)O

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InChI: InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1

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InChIKey: CMUNUTVVOOHQPW-LURJTMIESA-O

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Maclura tricuspidata Maclura Moraceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tridacna gigas Tridacna Cardiidae Cardiida Bivalvia Mollusca Metazoa Eukaryota
Plenodomus wasabiae Plenodomus Leptosphaeriaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Pimpinella saxifraga Pimpinella Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Polygala myrtifolia Polygala Polygalaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Isodon rubescens Isodon Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Malus asiatica Malus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mikania obtusata Mikania Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Arachniodes dimorphophylla Arachniodes Dryopteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Achillea collina Achillea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Trigonostemon reidioides Trigonostemon Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nephroma antarcticum Nephroma Nephromataceae Peltigerales Lecanoromycetes Ascomycota Fungi Eukaryota
Citrus reticulata Citrus Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phyllanthus assamicus Phyllanthus Phyllanthaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tinospora smilacina Tinospora Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Capparis spinosa Capparis Capparaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sarcomelicope argyrophylla Sarcomelicope Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Macrotyloma axillare Macrotyloma Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Medicago sativa Medicago Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Oreosolen wattii Oreosolen Scrophulariaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Scorodophloeus zenkeri Scorodophloeus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Crataegus sinaica Crataegus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Wallago attu Wallago Siluridae Siluriformes Actinopteri Chordata Metazoa Eukaryota
Euphorbia ferganensis Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tropaeolum speciosum Tropaeolum Tropaeolaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota
Achillea millefolium Achillea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Montrouziera sphaeroidea Montrouziera Clusiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mycetinis scorodonius Mycetinis Omphalotaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Dolichospermum affine Dolichospermum Aphanizomenonaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria
Annona rensoniana Annona Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phlegmariurus phlegmaria Phlegmariurus Lycopodiaceae Lycopodiales Lycopodiopsida Streptophyta Viridiplantae Eukaryota
Chrysolina fastuosa Chrysolina Chrysomelidae Coleoptera Insecta Arthropoda Metazoa Eukaryota
Osteospermum spinescens Osteospermum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pentapora fascialis Pentapora Bitectiporidae Cheilostomatida Gymnolaemata Bryozoa Metazoa Eukaryota
Leonurus sibiricus Leonurus Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Actinobacillus pleuropneumoniae Actinobacillus Pasteurellaceae Pasteurellales Gammaproteobacteria Pseudomonadota None Bacteria
Sabia schumanniana Sabia Sabiaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ganoderma australe Ganoderma Polyporaceae Polyporales Agaricomycetes Basidiomycota Fungi Eukaryota
Tropiometra afra Tropiometra Tropiometridae Comatulida Crinoidea Echinodermata Metazoa Eukaryota
Ligularia platyglossa Ligularia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Leonurus japonicus Leonurus Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Citrus unshiu Citrus Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lasiocephalus ovatus Lasiocephalus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Urtica cannabina Urtica Urticaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gardenia jasminoides Gardenia Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Jasminum officinale Jasminum Oleaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aristolochia maxima Aristolochia Aristolochiaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bergenia purpurascens Bergenia Saxifragaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Caragana tibetica Caragana Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mola mola Mola Molidae Tetraodontiformes Actinopteri Chordata Metazoa Eukaryota
Glycyrrhiza squamulosa Glycyrrhiza Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cotoneaster orbicularis Cotoneaster Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vatica diospyroides Vatica Dipterocarpaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Artemisia vachanica Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum bahamense Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 144.194

TPSA？: 37.3

MolLogP？: 0.3097999999999998

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Histone acetyltransferase GCN5 Potency 39810.7 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 3162.3 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 10000.0 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 39810.7 nM None
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

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000487 *C.CN1CCC[C@H]1C(=O)O>>C[N+]1(C)CCC[C@H]1C(=O)O MNXR175710
AKRT000712 *N[C@@H](Cc1c[nH]c[n+]1[Co-4]123N4C5=C(C)C6=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]4[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)C(*)=O.C[N+]1(C)CCC[C@H]1C(=O)O>>*N[C@@H](Cc1c[nH]c[n+]1[Co-3]123(C)N4C5=C(C)C6=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]4[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)C(*)=O RXN-21062
AKRT014438 C[N+]1(C)CCC[C@@H]1C(=O)O>>C[N+]1(C)CCC[C@H]1C(=O)O RXN-15941
AKRT014439 C[N+]1(C)CCC[C@H]1C(=O)O>>C=O R501-RXN
AKRT014440 C[N+]1(C)CCC[C@H]1C(=O)O>>CN1CCC[C@H]1C(=O)O RXN-21062
AKRT014441 C[N+]1(C)CCC[C@H]1C(=O)O>>C[N+]1(C)CCC[C@@H]1C(=O)O None