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2-Hydroxysagamicin

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 52bd7dba-4b45-42d5-b870-dd61dba86038
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides
IUPAC Name 2-[2,4-diamino-5-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H41N5O8/c1-20(29)7-30-19(14(28)17(20)25-3)33-16-11(23)12(26)10(22)15(13(16)27)32-18-9(21)5-4-8(31-18)6-24-2/h8-19,24-29H,4-7,21-23H2,1-3H3
InChI Key IAMSXPNLUNHNQH-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H41N5O8
Molecular Weight 479.60 g/mol
Exact Mass 479.29551328 g/mol
Topological Polar Surface Area (TPSA) 220.00 Ų
XlogP -5.50

Synonyms

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77052-96-1
2-[2,4-diamino-5-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
DTXSID00998332
D-Streptamine, O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-, (2-xi)-
2,4-diamino-5-{[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyl]oxy}-3,6-dihydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)hexopyranoside

2D Structure

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2D Structure of 2-Hydroxysagamicin

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.70% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 95.57% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.50% 96.09%
CHEMBL2243 O00519 Anandamide amidohydrolase 94.05% 97.53%
CHEMBL226 P30542 Adenosine A1 receptor 89.14% 95.93%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 88.18% 95.17%
CHEMBL4581 P52732 Kinesin-like protein 1 86.08% 93.18%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.70% 95.89%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.66% 94.33%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.61% 96.77%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.71% 96.95%
CHEMBL3922 P50579 Methionine aminopeptidase 2 83.01% 97.28%
CHEMBL2815 P04629 Nerve growth factor receptor Trk-A 82.32% 87.16%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.03% 97.14%
CHEMBL5028 O14672 ADAM10 81.05% 97.50%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.04% 100.00%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 80.88% 95.58%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.79% 95.50%
CHEMBL3437 Q16853 Amine oxidase, copper containing 80.57% 94.00%

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 197215
LOTUS LTS0085208
wikiData Q82990890