Istamycin A

Details

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Internal ID 612e9a96-bfaf-40c7-82fd-963af1d50596
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides
IUPAC Name 2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H35N5O5/c1-21-8-9-4-5-10(19)17(26-9)27-16-11(20)6-12(25-3)14(15(16)24)22(2)13(23)7-18/h9-12,14-17,21,24H,4-8,18-20H2,1-3H3/t9-,10+,11-,12-,14+,15+,16+,17+/m0/s1
InChI Key NEFDRWXEVITQMN-JWYRXTSNSA-N
Popularity 12 references in papers

Physical and Chemical Properties

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Molecular Formula C17H35N5O5
Molecular Weight 389.50 g/mol
Exact Mass 389.26381923 g/mol
Topological Polar Surface Area (TPSA) 158.00 Ų
XlogP -3.40

Synonyms

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Sannamycin A
72503-79-8
2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide
Antibiotic KA 7038I
KA-7038-I
CHEBI:81285
DTXSID90993336
NEFDRWXEVITQMN-JWYRXTSNSA-N
AKOS040746320
L-chiro-Inositol, 4-amino-1-((aminoacetyl)methylamino)-3-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-1,4,5-trideoxy-6-O-methyl-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Istamycin A

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.47% 96.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 96.67% 96.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.12% 97.09%
CHEMBL4040 P28482 MAP kinase ERK2 95.63% 83.82%
CHEMBL204 P00734 Thrombin 95.24% 96.01%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 92.08% 94.33%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 90.72% 96.77%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.59% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.48% 99.17%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 88.26% 95.89%
CHEMBL3437 Q16853 Amine oxidase, copper containing 86.84% 94.00%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 85.50% 95.58%
CHEMBL340 P08684 Cytochrome P450 3A4 85.26% 91.19%
CHEMBL2243 O00519 Anandamide amidohydrolase 83.80% 97.53%
CHEMBL5028 O14672 ADAM10 83.69% 97.50%
CHEMBL4581 P52732 Kinesin-like protein 1 83.53% 93.18%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.60% 95.50%
CHEMBL2581 P07339 Cathepsin D 82.02% 98.95%
CHEMBL5255 O00206 Toll-like receptor 4 81.59% 92.50%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 80.28% 96.21%

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 156086
LOTUS LTS0089242
wikiData Q27155225