7-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol

Details

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Internal ID 97a2a50a-be1a-4505-8f44-371d3ab0c9a7
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines
IUPAC Name 7-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILES (Canonical) CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)O
SMILES (Isomeric) CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)O
InChI InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(21)19(23-3)12-16(14)17(20)10-13-4-6-15(22-2)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3
InChI Key OUFXWKJGMNDBNH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H23NO3
Molecular Weight 313.40 g/mol
Exact Mass 313.16779360 g/mol
Topological Polar Surface Area (TPSA) 41.90 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-6-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 99.38% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.59% 85.14%
CHEMBL2581 P07339 Cathepsin D 95.57% 98.95%
CHEMBL4208 P20618 Proteasome component C5 94.37% 90.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.25% 91.11%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 93.99% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 93.77% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.50% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.45% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.18% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.46% 94.45%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 89.04% 92.62%
CHEMBL2535 P11166 Glucose transporter 88.45% 98.75%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 88.14% 91.03%
CHEMBL1951 P21397 Monoamine oxidase A 87.23% 91.49%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.10% 93.40%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.08% 99.17%
CHEMBL3820 P35557 Hexokinase type IV 86.87% 91.96%
CHEMBL2056 P21728 Dopamine D1 receptor 86.09% 91.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.07% 86.33%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.90% 92.94%
CHEMBL5747 Q92793 CREB-binding protein 80.39% 95.12%

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.
Dehaasia hainanensis
Roemeria refracta

Cross-Links

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PubChem 13258331
LOTUS LTS0043178
wikiData Q104399416