5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano(2'',3'':7,8)flavanone

Details

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Internal ID 211f94f8-31b9-4816-b042-2f9b95918469
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Furanoflavonoids and dihydrofuranoflavonoids
IUPAC Name 2-(1,3-benzodioxol-5-yl)-5-hydroxy-6-methoxy-2,3-dihydrofuro[2,3-h]chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H14O7/c1-22-19-16(21)15-11(20)7-13(26-17(15)10-4-5-23-18(10)19)9-2-3-12-14(6-9)25-8-24-12/h2-6,13,21H,7-8H2,1H3
InChI Key NDRSNJAZIATHAK-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C19H14O7
Molecular Weight 354.30 g/mol
Exact Mass 354.07395278 g/mol
Topological Polar Surface Area (TPSA) 87.40 Ų
XlogP 3.30

Synonyms

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CHEBI:185655
LMPK12140625
2-(1,3-benzodioxol-5-yl)-5-hydroxy-6-methoxy-2,3-dihydrouro[2,3-h]chromen-4-one

2D Structure

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2D Structure of 5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano(2'',3'':7,8)flavanone

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 99.71% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.95% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.01% 85.14%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 95.20% 96.77%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.01% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.86% 95.56%
CHEMBL2581 P07339 Cathepsin D 92.66% 98.95%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 92.06% 94.80%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.49% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 91.10% 92.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.83% 97.09%
CHEMBL1951 P21397 Monoamine oxidase A 89.74% 91.49%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.66% 99.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.05% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.91% 95.89%
CHEMBL2535 P11166 Glucose transporter 83.78% 98.75%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 82.65% 82.67%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 82.00% 94.03%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.34% 99.17%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 80.64% 96.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.50% 99.15%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 42608102
LOTUS LTS0078945
wikiData Q105177693