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Allosamidin

AlkaPlorer ID: AK016361

Synonym: 'Allosamidin', '(-)-Allosamidin', 'allosamidin', '(-)-Allosamidine'

IUPAC Name: N-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-6-[[(3aR,4R,5R,6S,6aS)-2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Structure

SMILES: CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@H]4N=C(N(C)C)O[C@H]4[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@H]1O

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InChI: InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1

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InChIKey: MDWNFWDBQGOKNZ-XYUDZHFQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces halstedii Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 622.6250000000003

TPSA？: 261.55999999999995

MolLogP？: -6.0486999999999895

Number of H-Donors: 9

Number of H-Acceptors: 16

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus fumigatus Chitinase IC50 127000.0 nM 10.1016/j.bmc.2010.09.062
Homo sapiens Acidic mammalian chitinase IC50 40.0 nM 10.1016/j.bmc.2010.09.062
Saccharomyces cerevisiae S288c Endochitinase Ki 610.0 nM 10.1016/j.bmc.2010.09.062
Serratia marcescens Chitinase B IC50 90.0 nM 10.1021/acs.jmedchem.5b00175
None Unchecked IC50 5400.0 nM 10.1016/j.bmc.2011.04.012

Metabolism Information