8-Hydroxy-4'-methoxypinoresinol

Details

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Internal ID 08638dab-152e-4b9e-9b96-392a65533f8f
Taxonomy Lignans, neolignans and related compounds > Furanoid lignans
IUPAC Name 6-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
SMILES (Canonical) COC1=C(C=C(C=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)OC
InChI InChI=1S/C21H24O7/c1-24-16-7-5-12(8-18(16)26-3)19-14-10-27-20(21(14,23)11-28-19)13-4-6-15(22)17(9-13)25-2/h4-9,14,19-20,22-23H,10-11H2,1-3H3
InChI Key JDOYVXXEQQTICM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C21H24O7
Molecular Weight 388.40 g/mol
Exact Mass 388.15220310 g/mol
Topological Polar Surface Area (TPSA) 86.60 Ų
XlogP 1.60

Synonyms

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CHEBI:175935
6-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-ol

2D Structure

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2D Structure of 8-Hydroxy-4'-methoxypinoresinol

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 98.98% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.99% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 96.74% 92.94%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.17% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.22% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.73% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.59% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 89.83% 91.49%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.08% 89.62%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.33% 94.00%
CHEMBL4208 P20618 Proteasome component C5 85.87% 90.00%
CHEMBL2535 P11166 Glucose transporter 85.79% 98.75%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.47% 97.14%
CHEMBL2581 P07339 Cathepsin D 82.77% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.14% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.09% 89.00%
CHEMBL3438 Q05513 Protein kinase C zeta 81.88% 88.48%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.93% 94.45%

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.
Olea europaea

Cross-Links

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PubChem 131751406
LOTUS LTS0120446
wikiData Q105125644