O-Methylarmepavine, (R)-

Details

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Internal ID 9d962ebb-d942-441c-9034-54edb25a93c9
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines
IUPAC Name (1R)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
SMILES (Canonical) CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC
SMILES (Isomeric) CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC)OC
InChI InChI=1S/C20H25NO3/c1-21-10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22-2)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3/t18-/m1/s1
InChI Key LZJWNVLTWYMMDJ-GOSISDBHSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H25NO3
Molecular Weight 327.40 g/mol
Exact Mass 327.18344366 g/mol
Topological Polar Surface Area (TPSA) 30.90 Ų
XlogP 3.70

Synonyms

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O-Methylarmepavine, (R)-
R-O-Methylarmepavine
V8Z37NT8TT
5701-00-8
UNII-V8Z37NT8TT
(-)-O-METHYLARMEPAVINE
D-(-)-O-METHYLARMEPAVINE
(1R)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-methoxyphenyl)methyl)-2-methyl-, (R)-
(1R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-((4-METHOXYPHENYL)METHYL)ISOQUINOLINE
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of O-Methylarmepavine, (R)-

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 99.10% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.95% 85.14%
CHEMBL2581 P07339 Cathepsin D 94.85% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 94.63% 93.99%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 94.26% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 93.45% 95.89%
CHEMBL4208 P20618 Proteasome component C5 92.51% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.55% 95.56%
CHEMBL5747 Q92793 CREB-binding protein 89.63% 95.12%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.14% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.52% 92.62%
CHEMBL2535 P11166 Glucose transporter 88.18% 98.75%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.45% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.88% 86.33%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.01% 97.25%
CHEMBL3820 P35557 Hexokinase type IV 84.59% 91.96%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 84.52% 91.03%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.63% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.40% 99.17%
CHEMBL2056 P21728 Dopamine D1 receptor 83.12% 91.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.67% 92.94%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 81.76% 90.95%

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.
Aconitum leucostomum
Dehaasia hainanensis
Discaria serratifolia
Xylopia parviflora

Cross-Links

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PubChem 821338
LOTUS LTS0169869
wikiData Q83079230