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Istamycin C0

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 cee6b300-cafc-4983-a1a2-03915c7e99c9
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides
IUPAC Name (1R,2R,3S,5S,6S)-3-amino-2-[(2R,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H34N4O4/c1-4-20-8-9-5-6-10(17)16(23-9)24-15-11(18)7-12(22-3)13(19-2)14(15)21/h9-16,19-21H,4-8,17-18H2,1-3H3/t9-,10+,11-,12-,13+,14+,15+,16+/m0/s1
InChI Key MBIKACINXASGTE-PFCCBWJBSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H34N4O4
Molecular Weight 346.47 g/mol
Exact Mass 346.25800558 g/mol
Topological Polar Surface Area (TPSA) 124.00 Ų
XlogP -2.00

Synonyms

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CHEBI:81445
C17994
Q27155377
(1R,2R,3S,5S,6S)-3-amino-2-[(2R,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol

2D Structure

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2D Structure of Istamycin C0

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
CHEMBL4040 P28482 MAP kinase ERK2 97.54% 83.82%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.63% 97.09%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 94.75% 95.58%
CHEMBL1974 P36888 Tyrosine-protein kinase receptor FLT3 94.40% 91.83%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.00% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.71% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 90.68% 95.93%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 90.03% 96.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.65% 95.89%
CHEMBL2243 O00519 Anandamide amidohydrolase 85.40% 97.53%
CHEMBL4581 P52732 Kinesin-like protein 1 84.93% 93.18%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 84.76% 90.75%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.93% 94.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.23% 99.17%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.20% 95.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.78% 97.14%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.71% 92.62%
CHEMBL1827 O76074 Phosphodiesterase 5A 80.18% 99.55%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 13187055
LOTUS LTS0085135
wikiData Q27155377