5,8,9-Trimethoxy-2,10-dimethyl-4,5-dihydropyrano[2,3-b]quinoline

Details

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Internal ID 2cf207bf-52f4-4f09-9159-2fee9cfb6726
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines
IUPAC Name 5,8,9-trimethoxy-2,10-dimethyl-4,5-dihydropyrano[2,3-b]quinoline
SMILES (Canonical) CC1=CCC2=C(O1)N(C3=C(C2OC)C=CC(=C3OC)OC)C
SMILES (Isomeric) CC1=CCC2=C(O1)N(C3=C(C2OC)C=CC(=C3OC)OC)C
InChI InChI=1S/C17H21NO4/c1-10-6-7-12-15(20-4)11-8-9-13(19-3)16(21-5)14(11)18(2)17(12)22-10/h6,8-9,15H,7H2,1-5H3
InChI Key JJFMMXSBTATGFV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H21NO4
Molecular Weight 303.35 g/mol
Exact Mass 303.14705815 g/mol
Topological Polar Surface Area (TPSA) 40.20 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,8,9-Trimethoxy-2,10-dimethyl-4,5-dihydropyrano[2,3-b]quinoline

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 96.50% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.39% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.03% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.62% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.09% 95.89%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.33% 89.62%
CHEMBL2581 P07339 Cathepsin D 82.53% 98.95%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 82.10% 100.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.96% 93.65%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 81.58% 100.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.24% 93.99%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.19% 93.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.21% 97.09%

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.
Vepris louisii

Cross-Links

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PubChem 162993554
LOTUS LTS0022763
wikiData Q105129626