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Evoxine

AlkaPlorer ID: AK011122

Synonym: 'SMR000054917', 'MLS000104988', '2,3-Butanediol, 1-((4,8-dimethoxyfuro(2,3-b)quinolin-7-yl)oxy)-3-methyl-, (+)-', 'Evoxine', '7-(2,3-Dihydroxy-3-methyl-butyl)oxy-8-methyldictamnine'

IUPAC Name: (2R)-1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol

Structure

SMILES: COC1=C2C=CC(OC[C@@H](O)C(C)(C)O)=C(OC)C2=NC2=C1C=CO2

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InChI: InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3/t13-/m1/s1

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InChIKey: FGANMDNHTVJAHL-CYBMUJFWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Choisya ternata Choisya Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 347.3670000000001

TPSA？: 94.18

MolLogP？: 2.5088

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli Escherichia coli AC50 54195.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 12589.3 nM None
Homo sapiens Histone acetyltransferase GCN5 Potency 2818.4 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 8199.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 16360.1 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 23934.1 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 79432.8 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
None Unchecked AC50 420000.0 nM None
None Unchecked Potency 259.3 nM None

Metabolism Information