5-(5-Hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol

Details

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Internal ID 7a11dcdf-7f3e-4780-baff-665f453a5d7c
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines
IUPAC Name 5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILES (Canonical) CC1CC2=C(C=CC(=C2C(N1)C)O)C3=C4C=CC=C(C4=C(C=C3C)OC)O
SMILES (Isomeric) CC1CC2=C(C=CC(=C2C(N1)C)O)C3=C4C=CC=C(C4=C(C=C3C)OC)O
InChI InChI=1S/C23H25NO3/c1-12-10-20(27-4)23-16(6-5-7-18(23)25)21(12)15-8-9-19(26)22-14(3)24-13(2)11-17(15)22/h5-10,13-14,24-26H,11H2,1-4H3
InChI Key NALOMJPIDNQZKW-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C23H25NO3
Molecular Weight 363.40 g/mol
Exact Mass 363.18344366 g/mol
Topological Polar Surface Area (TPSA) 61.70 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-(5-Hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.03% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.56% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 96.51% 91.49%
CHEMBL2581 P07339 Cathepsin D 96.07% 98.95%
CHEMBL2535 P11166 Glucose transporter 94.71% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.49% 99.15%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.75% 92.94%
CHEMBL1907 P15144 Aminopeptidase N 92.69% 93.31%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.48% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.41% 89.00%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 91.26% 91.79%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.25% 95.89%
CHEMBL1163125 O60885 Bromodomain-containing protein 4 89.30% 97.31%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.51% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.17% 97.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.79% 93.99%
CHEMBL2056 P21728 Dopamine D1 receptor 86.66% 91.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.53% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.39% 89.62%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 86.28% 96.21%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 85.37% 100.00%
CHEMBL4208 P20618 Proteasome component C5 85.24% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.94% 94.45%
CHEMBL213 P08588 Beta-1 adrenergic receptor 84.01% 95.56%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 82.75% 95.70%
CHEMBL1937 Q92769 Histone deacetylase 2 82.43% 94.75%
CHEMBL3492 P49721 Proteasome Macropain subunit 82.24% 90.24%
CHEMBL5028 O14672 ADAM10 81.41% 97.50%
CHEMBL3438 Q05513 Protein kinase C zeta 80.94% 88.48%
CHEMBL240 Q12809 HERG 80.92% 89.76%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.54% 99.23%

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.
Ancistrocladus abbreviatus
Triphyophyllum peltatum

Cross-Links

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PubChem 3956689
LOTUS LTS0195607
wikiData Q105176396