7,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,10-diol

Details

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Internal ID 0f0c5bf2-f42c-425e-891b-1311b5cc6431
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans
IUPAC Name 7,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,10-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H16O6/c1-20-12-6-13(21-2)15(19)17-14(12)10-7-22-11-5-8(18)3-4-9(11)16(10)23-17/h3-6,10,16,18-19H,7H2,1-2H3
InChI Key HBWPKRROSQFCEU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16O6
Molecular Weight 316.30 g/mol
Exact Mass 316.09468823 g/mol
Topological Polar Surface Area (TPSA) 77.40 Ų
XlogP 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,10-diol

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 96.74% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.88% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.28% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.84% 95.56%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.06% 89.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.33% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.80% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.29% 94.45%
CHEMBL2535 P11166 Glucose transporter 86.10% 98.75%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.75% 95.89%
CHEMBL2581 P07339 Cathepsin D 84.67% 98.95%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.02% 92.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.20% 89.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.77% 99.17%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.56% 92.94%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.41% 97.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.18% 94.00%

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 163023028
LOTUS LTS0126853
wikiData Q105025518