Dimethylmatairesinol

Details

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Internal ID 5d43781e-05e1-4411-ae62-32ce4606d6b8
Taxonomy Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans
IUPAC Name 3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
SMILES (Canonical) COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC)OC)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC)OC)OC
InChI InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3
InChI Key SNAOLIMFHAAIER-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C22H26O6
Molecular Weight 386.40 g/mol
Exact Mass 386.17293854 g/mol
Topological Polar Surface Area (TPSA) 63.20 Ų
XlogP 3.90

Synonyms

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4773-01-7
3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
4-Hydroxy-2,3-diveratrylbutyric acid gamma-lactone
Iriflophenone 2-O-alpha-rhamnoside
3,4-Bis(3,4-dimethoxybenzyl)dihydro-2(3H)-furanone
NSC675473
[2-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-4,6-dihydroxyphenyl](4-hydroxyphenyl)methanone
SCHEMBL13416229
DTXSID70963916
Arctigenin methyl ether; Maculatin; Maculatin (lignan); Matairesinol dimethyl ether
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Dimethylmatairesinol

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
CHEMBL4040 P28482 MAP kinase ERK2 98.61% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.30% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.12% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.04% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.96% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.22% 91.11%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.91% 95.89%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.49% 92.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.59% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.42% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.03% 85.14%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.39% 97.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.03% 99.17%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.20% 95.89%
CHEMBL1255126 O15151 Protein Mdm4 81.75% 90.20%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.68% 96.00%
CHEMBL2535 P11166 Glucose transporter 81.13% 98.75%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.99% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.95% 97.09%

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.
Aglaia tomentosa
Bupleurum salicifolium
Peperomia vulcanica
Piper guineense
Ptelea trifoliata
Taiwania cryptomerioides
Vaccinium myrtillus
Virola elongata
Virola sebifera
Zanthoxylum gilletii
Zanthoxylum heitzii

Cross-Links

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PubChem 1286
LOTUS LTS0224300
wikiData Q82945815