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Northalibrine

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 4ef78bcf-8605-4c7f-ba0b-76a31efd1f49
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines
IUPAC Name 1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C37H42N2O6/c1-39-15-13-26-20-35(43-4)36(44-5)22-29(26)31(39)17-24-8-11-33(41-2)37(18-24)45-27-9-6-23(7-10-27)16-30-28-21-32(40)34(42-3)19-25(28)12-14-38-30/h6-11,18-22,30-31,38,40H,12-17H2,1-5H3
InChI Key RNPHQDBXJJRLDE-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C37H42N2O6
Molecular Weight 610.70 g/mol
Exact Mass 610.30428706 g/mol
Topological Polar Surface Area (TPSA) 81.70 Ų
XlogP 6.20

Synonyms

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NSC 265454
59614-33-4
1-(4-(5-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-2-methoxyphenoxy)benzyl)-6-methoxy-1,2,3,4-tetrahydro-7-isoquinolinol
NSC265454
1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-phenoxy]phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-1-[[4-[2-methoxy-5-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl] -, [S-(R*,R*)]-

2D Structure

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2D Structure of Northalibrine

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 99.42% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.84% 85.14%
CHEMBL3192 Q9BY41 Histone deacetylase 8 96.83% 93.99%
CHEMBL5608 Q16288 NT-3 growth factor receptor 95.49% 95.89%
CHEMBL2581 P07339 Cathepsin D 94.68% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.58% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.00% 94.00%
CHEMBL261 P00915 Carbonic anhydrase I 93.23% 96.76%
CHEMBL4208 P20618 Proteasome component C5 92.93% 90.00%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 92.83% 91.03%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.80% 92.94%
CHEMBL2535 P11166 Glucose transporter 92.18% 98.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.29% 97.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 90.82% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.64% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.51% 86.33%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 89.51% 90.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.73% 95.56%
CHEMBL2056 P21728 Dopamine D1 receptor 88.37% 91.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.47% 99.17%
CHEMBL5747 Q92793 CREB-binding protein 86.63% 95.12%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 85.70% 91.79%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.41% 92.68%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.20% 97.25%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.83% 91.07%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.32% 92.62%
CHEMBL3438 Q05513 Protein kinase C zeta 81.26% 88.48%

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 494195
LOTUS LTS0212757
wikiData Q105241743