6-Methoxy-2-(4-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Details

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Internal ID c941d626-ca51-45fc-ab13-bc79cd31eae5
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines
IUPAC Name 6-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol
SMILES (Canonical) COC1=CC=C(C=C1)CN2CCC3=CC(=C(C=C3C2)O)OC
SMILES (Isomeric) COC1=CC=C(C=C1)CN2CCC3=CC(=C(C=C3C2)O)OC
InChI InChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-10-18(22-2)17(20)9-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3
InChI Key GYHXUCQTTQOORU-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H21NO3
Molecular Weight 299.40 g/mol
Exact Mass 299.15214353 g/mol
Topological Polar Surface Area (TPSA) 41.90 Ų
XlogP 2.90

Synonyms

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6-Methoxy-2-(4-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
6-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol
7-hydroxy-6-methoxy-N-(4'-methoxybenzyl)-3,4-dihydroisoquinoline

2D Structure

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2D Structure of 6-Methoxy-2-(4-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

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 98.77% 96.09%
CHEMBL4208 P20618 Proteasome component C5 97.31% 90.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.86% 91.11%
CHEMBL5608 Q16288 NT-3 growth factor receptor 94.79% 95.89%
CHEMBL2581 P07339 Cathepsin D 93.69% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 93.35% 93.40%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.92% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.41% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.68% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.25% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.91% 86.33%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 90.04% 91.03%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 89.49% 96.25%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.94% 99.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.67% 90.24%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 84.39% 95.89%
CHEMBL5747 Q92793 CREB-binding protein 83.41% 95.12%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.33% 85.14%

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.
Ceratocapnos heterocarpa
Corydalis aurea
Corydalis gortschakovii

Cross-Links

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PubChem 9839269
LOTUS LTS0048239
wikiData Q104402751