2,5-Bis(3,4-dimethoxyphenyl)-2-methoxy-3,4-dimethyloxolan-3-ol

Details

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Internal ID 11594ac1-caf5-4e7a-8e16-a45af89c8747
Taxonomy Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,7-epoxylignans
IUPAC Name 2,5-bis(3,4-dimethoxyphenyl)-2-methoxy-3,4-dimethyloxolan-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H30O7/c1-14-21(15-8-10-17(25-3)19(12-15)27-5)30-23(29-7,22(14,2)24)16-9-11-18(26-4)20(13-16)28-6/h8-14,21,24H,1-7H3
InChI Key VOCDWVXLKPORDZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H30O7
Molecular Weight 418.50 g/mol
Exact Mass 418.19915329 g/mol
Topological Polar Surface Area (TPSA) 75.60 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,5-Bis(3,4-dimethoxyphenyl)-2-methoxy-3,4-dimethyloxolan-3-ol

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.70% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.46% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.03% 91.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.09% 92.94%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.90% 86.33%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 88.81% 97.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.51% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.90% 94.00%
CHEMBL2535 P11166 Glucose transporter 84.41% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.71% 93.99%
CHEMBL4208 P20618 Proteasome component C5 82.98% 90.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.05% 97.09%
CHEMBL1951 P21397 Monoamine oxidase A 80.84% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.52% 95.89%

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.
Schisandra henryi

Cross-Links

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PubChem 74817671
LOTUS LTS0063574
wikiData Q105290091