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name Structure Reference Source Properties Activities Metabolism

Evoxine

AlkaPlorer ID: AK011123

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: (2S)-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-/m0/s1

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InChIKey: FGANMDNHTVJAHL-ZDUSSCGKSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Orixa japonica Orixa 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
Bacillus anthracis Anthrax lethal factor Potency 12589.3 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 12589.3 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 14125.4 nM None
Homo sapiens Cytochrome P450 1A2 AC50 10000.0 nM None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 Potency 12589.3 nM None
Homo sapiens Cytochrome P450 2C9 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 15848.93 nM None
Homo sapiens Cytochrome P450 3A4 Potency 15848.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 12589.3 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 15848.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 14125.4 nM None
None Unchecked Potency 12589.3 nM None

Metabolism Information