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(5S,7R,8S,9R)-8,9-Dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro(4.4)nonane-2,4-dione

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 cd68a06e-ccf4-40a3-9966-4a78dd0c9d4c
Taxonomy Organoheterocyclic compounds > Azolidines > Imidazolidines > Hydantoins
IUPAC Name (5S,7R,8S,9R)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C7H10N2O6/c10-1-2-3(11)4(12)7(15-2)5(13)8-6(14)9-7/h2-4,10-12H,1H2,(H2,8,9,13,14)/t2-,3-,4-,7+/m1/s1
InChI Key RFZZKBWDDKMWNM-GTBMBKLPSA-N
Popularity 14 references in papers

Physical and Chemical Properties

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Molecular Formula C7H10N2O6
Molecular Weight 218.16 g/mol
Exact Mass 218.05388604 g/mol
Topological Polar Surface Area (TPSA) 128.00 Ų
XlogP -2.80

Synonyms

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130607-26-0
SCHEMBL8072284
CHEMBL2285997
DTXSID00156637
(5S,7R,8S,9R)-8,9-DIHYDROXY-7-(HYDROXYMETHYL)-6-OXA-1,3-DIAZASPIRO[4.4]NONANE-2,4-DIONE
6-Oxa-1,3-diazaspiro(4.4)nonane-2,4-dione, 8,9-dihydroxy-7-(hydroxymethyl)-, (5S-(5alpha,7alpha,8beta,9beta))-

2D Structure

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2D Structure of (5S,7R,8S,9R)-8,9-Dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro(4.4)nonane-2,4-dione

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 96.09% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.48% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.38% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.53% 85.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.87% 97.09%
CHEMBL4040 P28482 MAP kinase ERK2 84.05% 83.82%
CHEMBL2581 P07339 Cathepsin D 83.63% 98.95%
CHEMBL218 P21554 Cannabinoid CB1 receptor 81.32% 96.61%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.88% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.58% 95.56%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 80.33% 86.92%

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 125429
LOTUS LTS0047282
wikiData Q76009833