Blumeatin C; Taxifolin 7-methyl ether

Details

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Internal ID 5959c16e-7034-4497-9e74-3ca594a15d9d
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC(=C(C=C3)O)O)O
SMILES (Isomeric) COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC(=C(C=C3)O)O)O
InChI InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3
InChI Key MRPJBTFHICBFNE-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O7
Molecular Weight 318.28 g/mol
Exact Mass 318.07395278 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 1.80

Synonyms

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SCHEMBL16887971
3,3',4',5-tetrahydroxy-7-methoxyflavanone

2D Structure

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2D Structure of Blumeatin C; Taxifolin 7-methyl ether

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 98.68% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 95.30% 99.15%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.17% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.31% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.33% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.91% 99.23%
CHEMBL1951 P21397 Monoamine oxidase A 89.11% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.54% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 87.08% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.86% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.58% 86.33%
CHEMBL2581 P07339 Cathepsin D 85.50% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.47% 97.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.27% 94.00%
CHEMBL2535 P11166 Glucose transporter 83.96% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.87% 99.17%

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.
Adenothamnus validus
Chromolaena odorata
Dittrichia graveolens
Dittrichia viscosa subsp. viscosa
Prunus cerasoides

Cross-Links

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PubChem 12313900
LOTUS LTS0233310
wikiData Q105170800