Pratensin B

Details

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Internal ID 27c55ec1-2847-4627-8dd8-fd76140df0c2
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name [5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4-oxochromen-8-yl] 2-methylbutanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H24O9/c1-6-11(2)23(27)32-22-18-14(16(26)20(29-4)21(22)30-5)15(25)19(28-3)17(31-18)12-7-9-13(24)10-8-12/h7-11,24,26H,6H2,1-5H3
InChI Key HGOSLBASTAAYFT-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H24O9
Molecular Weight 444.40 g/mol
Exact Mass 444.14203234 g/mol
Topological Polar Surface Area (TPSA) 121.00 Ų
XlogP 4.30

Synonyms

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CHEBI:168318
LMPK12113304
[5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4-oxochromen-8-yl] 2-methylbutanoate

2D Structure

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2D Structure of Pratensin B

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.48% 94.45%
CHEMBL2581 P07339 Cathepsin D 97.36% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.17% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.41% 94.00%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 92.98% 95.64%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.26% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.70% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.04% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.36% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.92% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 82.36% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.37% 99.23%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.61% 94.33%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.55% 95.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.42% 95.56%

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.
Galeana pratensis

Cross-Links

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PubChem 15736236
LOTUS LTS0220343
wikiData Q105027896