5,7,2'-Trihydroxy-6,8-dimethoxyflavone

Details

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Internal ID 41dfb7e9-fea6-4092-9d37-873c2511f58a
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
IUPAC Name 5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxychromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-5-3-4-6-9(8)18)24-15(12)17(23-2)14(16)21/h3-7,18,20-21H,1-2H3
InChI Key JWOKGWICZPPYPX-UHFFFAOYSA-N
Popularity 11 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O7
Molecular Weight 330.29 g/mol
Exact Mass 330.07395278 g/mol
Topological Polar Surface Area (TPSA) 105.00 Ų
XlogP 2.60

Synonyms

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159359-22-5
5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxychromen-4-one
CHEMBL488994
SCHEMBL4625384
DTXSID601349015
LMPK12111429
AKOS040735670
DB13983
2',5,7-Trihydroxy-6,8-dimethoxyflavone
PD077444
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 5,7,2'-Trihydroxy-6,8-dimethoxyflavone

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 99.19% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.68% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.87% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 94.78% 91.49%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.44% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.33% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.53% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.33% 99.15%
CHEMBL2535 P11166 Glucose transporter 86.01% 98.75%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 85.55% 98.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.41% 99.23%
CHEMBL3194 P02766 Transthyretin 82.67% 90.71%
CHEMBL308 P06493 Cyclin-dependent kinase 1 81.93% 91.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.34% 99.17%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 80.90% 83.57%
CHEMBL3401 O75469 Pregnane X receptor 80.13% 94.73%

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.
Scutellaria baicalensis
Scutellaria repens

Cross-Links

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PubChem 9818878
LOTUS LTS0119169
wikiData Q105136250