(7-Hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone

Details

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Internal ID 3b9d8fd7-e16f-4290-8700-d149164b9809
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines
IUPAC Name (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H15NO4/c1-22-15-8-10-5-6-18-16(13(10)9-14(15)20)17(21)11-3-2-4-12(19)7-11/h2-4,7-9,19-20H,5-6H2,1H3
InChI Key POZKGFNPXIGAIN-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C17H15NO4
Molecular Weight 297.30 g/mol
Exact Mass 297.10010796 g/mol
Topological Polar Surface Area (TPSA) 79.10 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (7-Hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone

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 96.74% 96.09%
CHEMBL2535 P11166 Glucose transporter 95.24% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.23% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.22% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.48% 99.17%
CHEMBL2581 P07339 Cathepsin D 92.55% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.92% 91.11%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.53% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.48% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.20% 99.23%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.71% 95.89%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.39% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.14% 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 134868927
LOTUS LTS0071115
wikiData Q105212772