1,2-Methylenedioxy-3,4,6-trimethoxydibenzofuran

Details

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Internal ID cfda13ff-e455-4630-8982-671eaff8321e
Taxonomy Organoheterocyclic compounds > Benzofurans > Dibenzofurans
IUPAC Name 4,5,7-trimethoxy-[1]benzofuro[2,3-g][1,3]benzodioxole
SMILES (Canonical) COC1=CC=CC2=C1OC3=C2C4=C(C(=C3OC)OC)OCO4
SMILES (Isomeric) COC1=CC=CC2=C1OC3=C2C4=C(C(=C3OC)OC)OCO4
InChI InChI=1S/C16H14O6/c1-17-9-6-4-5-8-10-12-16(21-7-20-12)15(19-3)14(18-2)13(10)22-11(8)9/h4-6H,7H2,1-3H3
InChI Key SUYTZNXJVBRFQQ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H14O6
Molecular Weight 302.28 g/mol
Exact Mass 302.07903816 g/mol
Topological Polar Surface Area (TPSA) 59.30 Ų
XlogP 3.40

Synonyms

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CHEMBL1270046
1,2-Methylenedioxy-3,4,6-trimethoxydibenzofuran
Q27138963

2D Structure

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2D Structure of 1,2-Methylenedioxy-3,4,6-trimethoxydibenzofuran

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.22% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.87% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.03% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.18% 94.00%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 90.06% 94.03%
CHEMBL2535 P11166 Glucose transporter 89.10% 98.75%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.04% 92.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.55% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.06% 96.00%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 83.51% 96.39%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.45% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.41% 89.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.77% 97.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.50% 95.89%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 80.39% 80.96%

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.
Rhaphiolepis indica

Cross-Links

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PubChem 49831389
LOTUS LTS0164351
wikiData Q27138963