6-Methoxy-3-(4-methoxyphenyl)-7-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxychromen-4-one

Details

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Internal ID d774e097-e870-460d-9093-f916c31ce94f
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones
IUPAC Name 6-methoxy-3-(4-methoxyphenyl)-7-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxychromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)14-10-31-15-8-17(16(30-2)7-13(15)19(14)25)32-22-21(27)20(26)18(9-24)33-23(22)28/h3-8,10,18,20-24,26-28H,9H2,1-2H3
InChI Key UUZFYLYXJNBXMI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H24O10
Molecular Weight 460.40 g/mol
Exact Mass 460.13694696 g/mol
Topological Polar Surface Area (TPSA) 144.00 Ų
XlogP 1.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-Methoxy-3-(4-methoxyphenyl)-7-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxychromen-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.47% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.62% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.00% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.49% 94.00%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 93.76% 86.92%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.83% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.20% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.13% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.69% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.56% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.16% 85.14%
CHEMBL1907 P15144 Aminopeptidase N 86.16% 93.31%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 84.75% 96.21%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.72% 92.62%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 82.98% 92.38%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.48% 97.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.37% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.62% 97.09%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 80.98% 90.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.37% 92.94%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 80.15% 96.47%
CHEMBL3922 P50579 Methionine aminopeptidase 2 80.14% 97.28%

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.
Cyclopia intermedia

Cross-Links

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PubChem 162966941
LOTUS LTS0121985
wikiData Q105279681