2-(2,6-Dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one

Details

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Internal ID 59962128-4346-43ed-ac2d-c6b03fb5fe47
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 2-(2,6-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H22O7/c1-22-11-9-14(25-4)16-15(10-11)27-19(20(26-5)18(16)21)17-12(23-2)7-6-8-13(17)24-3/h6-10,19-20H,1-5H3
InChI Key SYLLBZVMSOPMCI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H22O7
Molecular Weight 374.40 g/mol
Exact Mass 374.13655304 g/mol
Topological Polar Surface Area (TPSA) 72.50 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(2,6-Dimethoxyphenyl)-3,5,7-trimethoxy-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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.41% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.03% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.39% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 89.37% 83.82%
CHEMBL240 Q12809 HERG 88.66% 89.76%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.61% 94.00%
CHEMBL2581 P07339 Cathepsin D 88.30% 98.95%
CHEMBL2535 P11166 Glucose transporter 88.21% 98.75%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.79% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.52% 96.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.76% 97.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.74% 99.23%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 84.36% 94.80%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.22% 85.14%
CHEMBL1907 P15144 Aminopeptidase N 84.12% 93.31%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 82.59% 100.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.29% 92.62%

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

Cross-Links

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PubChem 162958440
LOTUS LTS0081780
wikiData Q105263641