Molecule

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol

AlkaPlorer ID: AK037509

Synonym: None

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol

Structure

SMILES: COC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O

InChI: InChI=1S/C11H15N5O4/c1-19-2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

InChIKey: MLFJPVLRZZMIIP-IOSLPCCCSA-N

Reference

Selective Cholinesterase Inhibitory Activities of a New Monoterpene Diglycoside and Other Constituents from Nelumbo nucifera Stamens

PubChem CID: 59903308

LOTUS: LTS0028647

SuperNatural Ⅲ: SN0228618-02

NPASS: NPC219313

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cryptocarya aschersoniana	Cryptocarya	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Juniperus brevifolia	Juniperus	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Lonicera japonica	Lonicera	Caprifoliaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Neolentinus lepideus	Neolentinus	Gloeophyllaceae	Gloeophyllales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Guatteria boliviana	Guatteria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Symphyocladia latiuscula	Symphyocladia	Rhodomelaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota
Anemone flaccida	Anemone	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ardisia neriifolia	Ardisia	Primulaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Acacia aulacocarpa	Acacia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Psiadia dentata	Psiadia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspidosperma subincanum	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 281.272

TPSA？: 128.54

MolLogP？: -1.3258999999999996

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	Activity	nan	None	10.1021/np4005773
Homo sapiens	Adenosine A1 receptor	Inhibition	75.0	%	10.1021/jm001114o
Homo sapiens	Adenosine A3 receptor	Activity	79.0	None	10.1021/jm001114o
Homo sapiens	Adenosine A3 receptor	Activity	85.0	None	10.1021/jm001114o
Homo sapiens	Adenosine A3 receptor	Inhibition	76.0	%	10.1021/jm001114o
Homo sapiens	Adenosine A3 receptor	Ki	40.3	nM	10.1021/jm001114o
Homo sapiens	KETR3	Activity	nan	None	10.1021/np4005773
Homo sapiens	MCF7	Activity	nan	None	10.1021/np4005773
Human immunodeficiency virus 1	Human immunodeficiency virus 1	Inhibition	nan	%	10.1021/np4005773
Influenza A virus H3N2	Influenza A virus H3N2	IC50	3400.0	nM	10.1021/np4005773
Rattus norvegicus	Adenosine A1 receptor	Activity	73.0	None	10.1021/jm001114o
Rattus norvegicus	Adenosine A1 receptor	Activity	91.0	None	10.1021/jm001114o
Rattus norvegicus	Adenosine A1 receptor	Ki	164.0	nM	10.1021/jm001114o
Rattus norvegicus	Adenosine A2a receptor	Ki	261.0	nM	10.1021/jm001114o
None	NON-PROTEIN TARGET	Activity	nan	None	10.1021/np4005773
None	NON-PROTEIN TARGET	Inhibition	30.0	%	10.1021/np4005773