(R)-Norreticuline

Details

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Internal ID 22598971-d9e2-4eb4-a5f3-8d20e0ef1550
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines
IUPAC Name (1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILES (Canonical) COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)O)O
SMILES (Isomeric) COC1=C(C=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2)OC)O)O
InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m1/s1
InChI Key FVEMXQCEJGGXJB-CQSZACIVSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H21NO4
Molecular Weight 315.40 g/mol
Exact Mass 315.14705815 g/mol
Topological Polar Surface Area (TPSA) 71.00 Ų
XlogP 2.50

Synonyms

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N-Norreticuline
(+)-Norreticuline
Nor Reticuline
CHEBI:28658
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
(1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
C06516
CHEMBL160579
EN300-27063411
Q27103817
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (R)-Norreticuline

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 98.93% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.70% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.45% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.19% 93.99%
CHEMBL2581 P07339 Cathepsin D 91.86% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.64% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.25% 95.89%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.55% 96.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.98% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.19% 94.00%
CHEMBL2535 P11166 Glucose transporter 87.48% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.60% 86.33%
CHEMBL213 P08588 Beta-1 adrenergic receptor 86.53% 95.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.89% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 85.24% 92.94%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.23% 92.62%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.65% 85.14%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 80.84% 96.09%

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.
Ficus pachyrrhachis

Cross-Links

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PubChem 441066
LOTUS LTS0201553
wikiData Q27103817