5-Hydroxy-4-methoxy-6-(4-methoxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one

Details

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Internal ID 861ba0c7-640b-4410-bddf-c2da0f4687bb
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Hydroxyisoflavonoids
IUPAC Name 5-hydroxy-4-methoxy-6-(4-methoxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H20O6/c1-11(2)15-9-14-16(27-15)10-17-19(21(14)26-4)20(23)18(22(24)28-17)12-5-7-13(25-3)8-6-12/h5-8,10,15,23H,1,9H2,2-4H3
InChI Key ZDCJFDSEGJQOLJ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C22H20O6
Molecular Weight 380.40 g/mol
Exact Mass 380.12598835 g/mol
Topological Polar Surface Area (TPSA) 74.20 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Hydroxy-4-methoxy-6-(4-methoxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one

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 99.57% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.52% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 96.21% 94.00%
CHEMBL2581 P07339 Cathepsin D 93.75% 98.95%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 92.79% 92.68%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.56% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.56% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.30% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.94% 94.45%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 91.86% 80.96%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.30% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 90.41% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.56% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.03% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.90% 96.09%
CHEMBL1907 P15144 Aminopeptidase N 88.14% 93.31%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 87.38% 95.64%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.83% 99.23%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 86.21% 93.65%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.29% 99.17%
CHEMBL4531 P17931 Galectin-3 84.19% 96.90%
CHEMBL1929 P47989 Xanthine dehydrogenase 83.98% 96.12%
CHEMBL4208 P20618 Proteasome component C5 82.34% 90.00%
CHEMBL2535 P11166 Glucose transporter 81.35% 98.75%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.16% 92.62%
CHEMBL3401 O75469 Pregnane X receptor 81.10% 94.73%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 80.59% 94.80%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 80.23% 95.78%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 80.05% 97.33%

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.
Erythrina variegata

Cross-Links

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PubChem 54688677
LOTUS LTS0098396
wikiData Q105372060