7,8-Dimethoxy-2-methyl-1-(4'-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline

Details

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Internal ID 9454e47f-047e-43b2-b7da-755e42e7a922
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines
IUPAC Name 4-[(7,8-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H23NO3/c1-20-11-10-14-6-9-17(22-2)19(23-3)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16,21H,10-12H2,1-3H3
InChI Key CKDJFSNCSPIWKY-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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7,8-Dimethoxy-2-methyl-1-(4'-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline
4-[(7,8-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]phenol #

2D Structure

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2D Structure of 7,8-Dimethoxy-2-methyl-1-(4'-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline

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%
CHEMBL4040 P28482 MAP kinase ERK2 96.93% 83.82%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 94.41% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 92.76% 95.89%
CHEMBL2581 P07339 Cathepsin D 89.94% 98.95%
CHEMBL4208 P20618 Proteasome component C5 89.65% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.24% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.87% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.99% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.56% 99.17%
CHEMBL261 P00915 Carbonic anhydrase I 86.40% 96.76%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.02% 85.14%
CHEMBL2535 P11166 Glucose transporter 85.80% 98.75%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 85.21% 93.10%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.15% 86.33%
CHEMBL5747 Q92793 CREB-binding protein 83.48% 95.12%
CHEMBL217 P14416 Dopamine D2 receptor 82.62% 95.62%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 82.55% 97.33%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 82.16% 82.38%
CHEMBL3820 P35557 Hexokinase type IV 82.07% 91.96%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.88% 93.99%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.71% 100.00%
CHEMBL5555 O00767 Acyl-CoA desaturase 80.57% 97.50%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 80.08% 90.93%

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.
Cryptocarya longifolia

Cross-Links

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PubChem 609929
LOTUS LTS0070219
wikiData Q104962173