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Istamycin B0

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID fe6630ce-19f8-422b-9409-503aa96806d1
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides
IUPAC Name (1R,2R,3R,5S,6S)-3-amino-2-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
SMILES (Canonical) CNCC1CCC(C(O1)OC2C(CC(C(C2O)NC)OC)N)N
SMILES (Isomeric) CNC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@@H](C[C@@H]([C@H]([C@H]2O)NC)OC)N)N
InChI InChI=1S/C15H32N4O4/c1-18-7-8-4-5-9(16)15(22-8)23-14-10(17)6-11(21-3)12(19-2)13(14)20/h8-15,18-20H,4-7,16-17H2,1-3H3/t8-,9+,10+,11-,12+,13+,14+,15+/m0/s1
InChI Key GKYYNFPFPFRFFN-FWCUKHODSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H32N4O4
Molecular Weight 332.44 g/mol
Exact Mass 332.24235551 g/mol
Topological Polar Surface Area (TPSA) 124.00 Ų
XlogP -2.40

Synonyms

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CHEBI:81441
C17990
Q27155373
(1R,2R,3R,5S,6S)-3-amino-2-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol

2D Structure

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2D Structure of Istamycin B0

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3137262 O60341 LSD1/CoREST complex 96.26% 97.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.13% 91.11%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 94.69% 95.58%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.86% 96.09%
CHEMBL2243 O00519 Anandamide amidohydrolase 89.81% 97.53%
CHEMBL4040 P28482 MAP kinase ERK2 89.74% 83.82%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.69% 96.95%
CHEMBL4581 P52732 Kinesin-like protein 1 88.42% 93.18%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 87.01% 95.89%
CHEMBL1974 P36888 Tyrosine-protein kinase receptor FLT3 85.60% 91.83%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.21% 95.89%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.04% 94.33%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 13019101
LOTUS LTS0131983
wikiData Q27155373