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name Structure Reference Source Properties Activities Metabolism

trans-4-hydroxy-L-proline betaine

AlkaPlorer ID: AK075070

Synonym: 'betonicine', '(-)-betonicine', '(2S-trans)-2-carboxylato-4-hydroxy-1,1-dimethylpyrrolidinium', '4-hydroxystachydrine', 'trans-4-hydroxy-L-proline betaine'

IUPAC Name: (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate

Structure

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

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InChI: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1

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InChIKey: MUNWAHDYFVYIKH-RITPCOANSA-N

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Reference

Betaines and free proline within the Achillea millefolium group

PubChem CID: 164642

LOTUS: LTS0167163

SuperNatural Ⅲ: SN0235728-04

NPASS: NPC279525

data_source: manually

Source

Species Genus Family Order Class Phylum Kingdom Domain
Lasiocephalus ovatus Lasiocephalus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cytisus ratisbonensis Cytisus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Galeopsis tetrahit Galeopsis Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pinus mugo Pinus Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Pimpinella saxifraga Pimpinella Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Jasminum officinale Jasminum Oleaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ganoderma australe Ganoderma Polyporaceae Polyporales Agaricomycetes Basidiomycota Fungi Eukaryota
Boronia ternata Boronia Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Colchicum robustum Colchicum Colchicaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mola mola Mola Molidae Tetraodontiformes Actinopteri Chordata Metazoa Eukaryota
Achillea collina Achillea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vatica diospyroides Vatica Dipterocarpaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cotoneaster orbicularis Cotoneaster Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vellozia nivea Vellozia Velloziaceae Pandanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Artemisia vachanica Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nepeta cataria Nepeta Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Buxus microphylla Buxus Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Polygala myrtifolia Polygala Polygalaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Achillea moschata Achillea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ligularia platyglossa Ligularia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
enrichment culture None None None None None None None
Zanthoxylum ailanthoides Zanthoxylum Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum bahamense Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tropiometra afra Tropiometra Tropiometridae Comatulida Crinoidea Echinodermata Metazoa Eukaryota
Euphorbia ferganensis Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mikania obtusata Mikania Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Betonica officinalis Betonica Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dicoma anomala Dicoma Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Wallago attu Wallago Siluridae Siluriformes Actinopteri Chordata Metazoa Eukaryota
Perknaster fuscus Perknaster Ganeriidae Valvatida Asteroidea Echinodermata Metazoa Eukaryota
Caragana tibetica Caragana Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Deamia testudo Deamia Cactaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cinnamomum kotoense Cinnamomum Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sarcomelicope argyrophylla Sarcomelicope Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Chrysolina fastuosa Chrysolina Chrysomelidae Coleoptera Insecta Arthropoda Metazoa Eukaryota
Macrotyloma axillare Macrotyloma Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Casearia membranacea Casearia Salicaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aphis sambuci Aphis Aphididae Hemiptera Insecta Arthropoda Metazoa Eukaryota
Nephroma antarcticum Nephroma Nephromataceae Peltigerales Lecanoromycetes Ascomycota Fungi Eukaryota
Strychnos camptoneura Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gardenia jasminoides Gardenia Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Malus asiatica Malus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dolichospermum affine Dolichospermum Aphanizomenonaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria
Tropaeolum speciosum Tropaeolum Tropaeolaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Luculia pinceana Luculia Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Abies veitchii Abies Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Bergenia purpurascens Bergenia Saxifragaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Actinobacillus pleuropneumoniae Actinobacillus Pasteurellaceae Pasteurellales Gammaproteobacteria Pseudomonadota None Bacteria
Tridacna gigas Tridacna Cardiidae Cardiida Bivalvia Mollusca Metazoa Eukaryota
Marrubium vulgare Marrubium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Montrouziera sphaeroidea Montrouziera Clusiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Isodon rubescens Isodon Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tinospora smilacina Tinospora Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Epidendrum rigidum Epidendrum Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Trigonostemon reidioides Trigonostemon Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pulicaria arabica Pulicaria Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ainsliaea macrocephala Ainsliaea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Arachniodes dimorphophylla Arachniodes Dryopteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Oreosolen wattii Oreosolen Scrophulariaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Annona rensoniana Annona Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pentapora fascialis Pentapora Bitectiporidae Cheilostomatida Gymnolaemata Bryozoa Metazoa Eukaryota
Aristolochia maxima Aristolochia Aristolochiaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Crataegus sinaica Crataegus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pityrogramma ebenea Pityrogramma Pteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 159.18499999999997

TPSA？: 60.36

MolLogP？: -2.0540999999999983

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
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
AKRT014442 C[N+]1(C)C[C@H](O)C[C@@H]1C(=O)O>>C[N+]1(C)C[C@H](O)C[C@H]1C(=O)O RXN-15948
AKRT014443 C[N+]1(C)C[C@H](O)C[C@H]1C(=O)O>>C[N+]1(C)C[C@H](O)C[C@@H]1C(=O)O RXN-15948