4'-O-Methyllariciresinol

Details

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Internal ID 78c53a29-c165-4663-92bd-93226bfeca6a
Taxonomy Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans
IUPAC Name 4-[(2S,3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H26O6/c1-24-18-7-4-13(9-20(18)26-3)8-15-12-27-21(16(15)11-22)14-5-6-17(23)19(10-14)25-2/h4-7,9-10,15-16,21-23H,8,11-12H2,1-3H3/t15-,16-,21+/m0/s1
InChI Key SFMHPISSGZFAHZ-CKJXQJPGSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C21H26O6
Molecular Weight 374.40 g/mol
Exact Mass 374.17293854 g/mol
Topological Polar Surface Area (TPSA) 77.40 Ų
XlogP 2.70

Synonyms

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AKOS040763180
73354-09-3

2D Structure

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2D Structure of 4'-O-Methyllariciresinol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.84% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.90% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.93% 99.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.91% 97.09%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 91.20% 85.49%
CHEMBL2581 P07339 Cathepsin D 91.17% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.62% 86.33%
CHEMBL241 Q14432 Phosphodiesterase 3A 90.36% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.61% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.60% 94.45%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 87.96% 86.92%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.67% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.26% 95.56%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 86.17% 92.62%
CHEMBL5555 O00767 Acyl-CoA desaturase 83.49% 97.50%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.34% 97.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.18% 89.00%

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.
Araucaria angustifolia

Cross-Links

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PubChem 21722907
LOTUS LTS0077976
wikiData Q105251869