5,7-Dihydroxy-6-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one

Details

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Internal ID 5ebb1628-9752-4770-ada9-69e715236fbf
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones
IUPAC Name 5,7-dihydroxy-6-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H30O7/c1-14(2)18(27)9-6-15(3)5-8-17-20(29)12-24-25(26(17)31)21(30)13-22(33-24)16-7-10-19(28)23(11-16)32-4/h5,7,10-12,18,22,27-29,31H,1,6,8-9,13H2,2-4H3
InChI Key JDLZAZIAVULNSS-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C26H30O7
Molecular Weight 454.50 g/mol
Exact Mass 454.19915329 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 5.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,7-Dihydroxy-6-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-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 99.75% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.89% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.82% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.58% 85.14%
CHEMBL2581 P07339 Cathepsin D 94.69% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.73% 95.56%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 92.06% 92.68%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.78% 99.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.89% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.16% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 88.98% 94.73%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.45% 90.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.91% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.12% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.29% 99.15%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.51% 99.23%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.97% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.58% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.40% 92.62%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 80.01% 86.92%

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.
Paulownia tomentosa

Cross-Links

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PubChem 74336576
LOTUS LTS0113342
wikiData Q105125590