8-Hydroxy-10-methyloxecane-2,4-dione

Details

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Internal ID 80415ccb-0bed-4973-ab4a-9fc3309c1162
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > 1,3-dicarbonyl compounds
IUPAC Name 8-hydroxy-10-methyloxecane-2,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H16O4/c1-7-5-8(11)3-2-4-9(12)6-10(13)14-7/h7-8,11H,2-6H2,1H3
InChI Key CFFWJDRYTUTBMI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H16O4
Molecular Weight 200.23 g/mol
Exact Mass 200.10485899 g/mol
Topological Polar Surface Area (TPSA) 63.60 Ų
XlogP 0.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-Hydroxy-10-methyloxecane-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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.07% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.37% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.89% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.83% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.59% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.58% 99.23%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.82% 100.00%
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 84.72% 98.46%
CHEMBL2581 P07339 Cathepsin D 82.77% 98.95%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 81.79% 93.04%
CHEMBL1951 P21397 Monoamine oxidase A 81.64% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.61% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.90% 92.94%

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 85660146
LOTUS LTS0180469
wikiData Q103817680