2,4-dihydroxy-7-[2-(3-hydroxyphenyl)ethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

Details

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Internal ID d11d332c-040e-4705-bba4-cd9ea0591c15
Taxonomy Benzenoids > Benzene and substituted derivatives > Styrenes
IUPAC Name 2,4-dihydroxy-7-[2-(3-hydroxyphenyl)ethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H14O6/c17-10-3-1-2-9(6-10)4-5-11-7-13-15(16(20)21-11)12(18)8-14(19)22-13/h1-7,12,14,17-19H,8H2
InChI Key FUNLYCYTCODKLE-UHFFFAOYSA-N
Popularity 0 references 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) 96.20 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,4-dihydroxy-7-[2-(3-hydroxyphenyl)ethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-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 98.18% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.77% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.08% 86.33%
CHEMBL3194 P02766 Transthyretin 91.47% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.88% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.63% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.54% 99.23%
CHEMBL1951 P21397 Monoamine oxidase A 86.70% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.91% 94.45%
CHEMBL2581 P07339 Cathepsin D 85.38% 98.95%
CHEMBL2535 P11166 Glucose transporter 82.84% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 82.29% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.89% 96.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.04% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.88% 90.71%

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 162857987
LOTUS LTS0074458
wikiData Q104166790