4-Hydroxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one

Details

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Internal ID b192f4a2-486f-4cf7-a81e-1522fd5788fa
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines
IUPAC Name 4-hydroxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILES (Canonical) CC1(CC(C2=C(O1)C3=CC=CC=C3N(C2=O)C)O)C
SMILES (Isomeric) CC1(CC(C2=C(O1)C3=CC=CC=C3N(C2=O)C)O)C
InChI InChI=1S/C15H17NO3/c1-15(2)8-11(17)12-13(19-15)9-6-4-5-7-10(9)16(3)14(12)18/h4-7,11,17H,8H2,1-3H3
InChI Key ZMYYWMWQGRTPGO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H17NO3
Molecular Weight 259.30 g/mol
Exact Mass 259.12084340 g/mol
Topological Polar Surface Area (TPSA) 49.80 Ų
XlogP 1.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Hydroxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.21% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.52% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.26% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.64% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 93.15% 91.49%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.67% 93.99%
CHEMBL255 P29275 Adenosine A2b receptor 88.98% 98.59%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.43% 99.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.22% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.98% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.51% 86.33%
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 82.06% 98.46%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.92% 97.25%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.55% 94.00%
CHEMBL221 P23219 Cyclooxygenase-1 81.18% 90.17%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.15% 97.14%

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.
Euxylophora paraensis

Cross-Links

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PubChem 163041791
LOTUS LTS0193030
wikiData Q105379854