(R)-Juziphine

Details

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Internal ID 9b2fb394-b0b8-4560-8b94-4bac64b04d53
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines
IUPAC Name 1-[(4-hydroxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
SMILES (Canonical) CN1CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O
SMILES (Isomeric) CN1CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O
InChI InChI=1S/C18H21NO3/c1-19-10-9-13-5-8-16(22-2)18(21)17(13)15(19)11-12-3-6-14(20)7-4-12/h3-8,15,20-21H,9-11H2,1-2H3
InChI Key QRKWLDOOAQAGAE-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H21NO3
Molecular Weight 299.40 g/mol
Exact Mass 299.15214353 g/mol
Topological Polar Surface Area (TPSA) 52.90 Ų
XlogP 3.00

Synonyms

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Juziphine
Yuziphine
(+)-Juziphine
1-[(4-hydroxyphenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

2D Structure

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2D Structure of (R)-Juziphine

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 99.13% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 97.23% 83.82%
CHEMBL5608 Q16288 NT-3 growth factor receptor 94.74% 95.89%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 94.44% 95.89%
CHEMBL2581 P07339 Cathepsin D 92.61% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.44% 85.14%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 89.03% 93.10%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.76% 94.00%
CHEMBL4208 P20618 Proteasome component C5 87.83% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.31% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.94% 99.17%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.38% 92.94%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.32% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 82.66% 91.49%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.45% 93.99%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.38% 94.45%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.34% 100.00%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 82.29% 90.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.48% 91.11%
CHEMBL3820 P35557 Hexokinase type IV 81.36% 91.96%
CHEMBL5555 O00767 Acyl-CoA desaturase 80.57% 97.50%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 80.53% 97.33%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 80.20% 85.00%

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.
Corydalis bungeana
Corydalis pseudoadunca
Corydalis stricta
Fumaria vaillantii
Neolitsea dealbata

Cross-Links

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PubChem 14526072
LOTUS LTS0172215
wikiData Q104395444