(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene

Details

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Internal ID 15f583f3-189f-48e4-be2c-7e5ddd666607
Taxonomy Lignans, neolignans and related compounds
IUPAC Name (1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene
SMILES (Canonical) COC1=CC=C(C=C1)CC2CC=CC3=C2C=CC(=C3)OC
SMILES (Isomeric) COC1=CC=C(C=C1)C[C@H]2CC=CC3=C2C=CC(=C3)OC
InChI InChI=1S/C19H20O2/c1-20-17-8-6-14(7-9-17)12-15-4-3-5-16-13-18(21-2)10-11-19(15)16/h3,5-11,13,15H,4,12H2,1-2H3/t15-/m1/s1
InChI Key CGHDUZWRAYYDQB-OAHLLOKOSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H20O2
Molecular Weight 280.40 g/mol
Exact Mass 280.146329876 g/mol
Topological Polar Surface Area (TPSA) 18.50 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2-dihydronaphthalene

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 97.57% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 94.35% 95.93%
CHEMBL2581 P07339 Cathepsin D 94.08% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.71% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.58% 97.09%
CHEMBL4208 P20618 Proteasome component C5 89.98% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.93% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.96% 99.17%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.72% 92.62%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 88.33% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.25% 93.99%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.56% 94.45%
CHEMBL2535 P11166 Glucose transporter 86.02% 98.75%
CHEMBL1907 P15144 Aminopeptidase N 85.56% 93.31%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.54% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.39% 95.56%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 83.64% 100.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 83.44% 90.24%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.23% 97.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.76% 94.00%
CHEMBL240 Q12809 HERG 80.69% 89.76%

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.
Sequoia sempervirens

Cross-Links

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PubChem 162951542
LOTUS LTS0198045
wikiData Q104957678