8-(4'-O-methyl-alpha-rhamnopyranosyloxy)-3,4-dihydroquinolin-2(1H)-one

Details

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Internal ID cf3afa33-8b2a-433a-a597-372692fce542
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H21NO6/c1-8-15(21-2)13(19)14(20)16(22-8)23-10-5-3-4-9-6-7-11(18)17-12(9)10/h3-5,8,13-16,19-20H,6-7H2,1-2H3,(H,17,18)
InChI Key IYMQKDCNKPOJCA-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H21NO6
Molecular Weight 323.34 g/mol
Exact Mass 323.13688739 g/mol
Topological Polar Surface Area (TPSA) 97.30 Ų
XlogP -0.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-(4'-O-methyl-alpha-rhamnopyranosyloxy)-3,4-dihydroquinolin-2(1H)-one

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 97.11% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.24% 95.56%
CHEMBL2581 P07339 Cathepsin D 96.11% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.74% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.22% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.84% 97.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.83% 94.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 90.25% 100.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.24% 99.23%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.55% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.08% 89.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 86.47% 95.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.92% 97.14%

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 139588702
LOTUS LTS0079058
wikiData Q104169262