Myricetin hexamethyl ether

Details

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Internal ID e2fc6656-be36-446d-beae-5d15b3887ac0
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)OC
SMILES (Isomeric) COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)OC
InChI InChI=1S/C21H22O8/c1-23-12-9-13(24-2)17-14(10-12)29-19(21(28-6)18(17)22)11-7-15(25-3)20(27-5)16(8-11)26-4/h7-10H,1-6H3
InChI Key CMRBCUQYNLDSKE-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C21H22O8
Molecular Weight 402.40 g/mol
Exact Mass 402.13146766 g/mol
Topological Polar Surface Area (TPSA) 81.70 Ų
XlogP 3.20

Synonyms

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Myricetin hexamethyl ether
Hexamethylmyricetin
Flavone, 3,3',4',5,5',7-hexamethoxy-
14813-27-5
M5J17BI02D
UNII-M5J17BI02D
3,5,7,3',4',5'-Hexamethoxyflavone
4H-1-Benzopyran-4-one, 3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-
CHEMBL357089
3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Myricetin hexamethyl 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
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.40% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.86% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.58% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.29% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.52% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.09% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.32% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 82.99% 94.73%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 81.94% 94.03%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.34% 94.45%
CHEMBL1907 P15144 Aminopeptidase N 81.00% 93.31%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.80% 95.50%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.74% 92.62%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.52% 96.09%
CHEMBL2581 P07339 Cathepsin D 80.34% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.01% 93.99%

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.
Ficus altissima
Murraya paniculata

Cross-Links

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PubChem 634113
LOTUS LTS0232725
wikiData Q104965068