5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone

Details

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Internal ID abfdd653-8860-4e9a-8e28-35ccaf50c67a
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids
IUPAC Name 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H22O6/c1-11(2)4-6-14-17(23)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(26-3)8-16(13)22/h4-5,7-9,15,22-24H,6,10H2,1-3H3
InChI Key OLQBBSLOQUEHDZ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C21H22O6
Molecular Weight 370.40 g/mol
Exact Mass 370.14163842 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 4.50

Synonyms

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5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone
LMPK12050485

2D Structure

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2D Structure of 5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone

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 99.72% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.45% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.61% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.21% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.14% 99.15%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.86% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.28% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.06% 86.33%
CHEMBL240 Q12809 HERG 91.87% 89.76%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.47% 95.89%
CHEMBL226 P30542 Adenosine A1 receptor 91.42% 95.93%
CHEMBL3401 O75469 Pregnane X receptor 91.08% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.65% 99.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.86% 97.09%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.97% 92.62%
CHEMBL4208 P20618 Proteasome component C5 87.42% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.31% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.91% 93.99%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.45% 89.00%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 84.37% 92.68%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 83.92% 91.07%
CHEMBL1929 P47989 Xanthine dehydrogenase 83.53% 96.12%
CHEMBL340 P08684 Cytochrome P450 3A4 83.28% 91.19%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.51% 100.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.32% 99.23%
CHEMBL1951 P21397 Monoamine oxidase A 81.44% 91.49%

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.
Diphysa americana

Cross-Links

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PubChem 44257388
LOTUS LTS0163119
wikiData Q105194092