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

Details

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Internal ID af9b050e-6cde-48e2-a31f-d42de7025586
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones
IUPAC Name 4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILES (Canonical) CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O
SMILES (Isomeric) CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O
InChI InChI=1S/C20H16O5/c1-10(2)15-7-13-16(25-15)8-17-18(19(13)22)20(23)14(9-24-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-22H,1,7H2,2H3
InChI Key CQXOSSCKEFRIBR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H16O5
Molecular Weight 336.30 g/mol
Exact Mass 336.09977361 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 4.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-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 98.19% 91.11%
CHEMBL2581 P07339 Cathepsin D 97.85% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 95.54% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.38% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.19% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.24% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.99% 94.00%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 86.99% 85.11%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.92% 90.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.14% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.44% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.02% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.80% 94.45%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 83.58% 95.64%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.50% 100.00%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 82.76% 95.78%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 80.83% 94.80%

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.
Crotalaria lachnophora
Glycyrrhiza pallidiflora

Cross-Links

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PubChem 12108704
LOTUS LTS0214750
wikiData Q104968342