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galanthamine Trifluoroacetic acid

AlkaPlorer ID: AK001047

Synonym: 'galanthamine', '', '(-)-GALANTHAMINE', 'MLS001210772', 'Galantamine', 'Lycoremine hydrobromide', 'Lycoremine', 'Galanthamine', 'Galanthamine; Jilken; Karantonin', 'Nivaline Trifluoroacetic acid', 'Lycoremin', 'Lycoremine Trifluoroacetic acid', 'SMR000517021', 'SMR000528869', 'Epigalanthamine', '(4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro(3a,3,2-ef)(2)benzazepin-6-ol Trifluoroacetic acid', 'MLS000766281', 'MLSMR', '(-)-Galanthamine', 'Jilkon'

IUPAC Name: (1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

Structure

SMILES: COC1=CC=C2CN(C)CC[C@@]34C=C[C@@H](O)C[C@@H]3OC1=C24

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InChI: InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14+,17+/m1/s1

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InChIKey: ASUTZQLVASHGKV-IFIJOSMWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lycoris radiata Lycoris Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 287.35900000000004

TPSA？: 41.93000000000001

MolLogP？: 1.8503

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

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 1000.0 nM None
Homo sapiens Cytochrome P450 2C19 Potency 1000.0 nM None
Homo sapiens Cytochrome P450 2C9 AC50 794.33 nM None
Homo sapiens Cytochrome P450 2C9 Potency 794.3 nM None
Homo sapiens Cytochrome P450 2D6 AC50 10000.0 nM None
Homo sapiens Cytochrome P450 2D6 Potency 10000.0 nM None
Homo sapiens Cytochrome P450 2D6 Potency 15848.9 nM None
Homo sapiens Cytochrome P450 2D6 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Leishmania donovani Leishmania donovani IC50 30.0 ug.mL-1 10.1016/j.bmcl.2019.126642
Trypanosoma cruzi Trypanosoma cruzi IC50 30.0 ug.mL-1 10.1016/j.bmcl.2019.126642

Metabolism Information