Aromadendrin 4'-methyl ether 7-rhamnoside

Details

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Internal ID 3cd403cf-efa7-4ffd-882b-ce491402d312
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
IUPAC Name 3,5-dihydroxy-2-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H24O10/c1-9-16(24)18(26)20(28)22(30-9)31-12-7-13(23)15-14(8-12)32-21(19(27)17(15)25)10-3-5-11(29-2)6-4-10/h3-9,16,18-24,26-28H,1-2H3
InChI Key KDOAIGQCYMINEB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H24O10
Molecular Weight 448.40 g/mol
Exact Mass 448.13694696 g/mol
Topological Polar Surface Area (TPSA) 155.00 Ų
XlogP 0.90

Synonyms

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Dihydrokaempferide 7-rhamnoside
CHEBI:176134
DTXSID701105638
114847-26-6
3,5-dihydroxy-2-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
4H-1-Benzopyran-4-one, 7-[(6-deoxy-I+/--L-mannopyranosyl)oxy]-2,3-dihydro-3,5-dihydroxy-2-(4-methoxyphenyl)-, (2R-trans)-

2D Structure

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2D Structure of Aromadendrin 4'-methyl ether 7-rhamnoside

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 99.21% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.34% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.63% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.63% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.15% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.37% 85.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.01% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.94% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.63% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 91.31% 94.73%
CHEMBL2581 P07339 Cathepsin D 91.02% 98.95%
CHEMBL3714130 P46095 G-protein coupled receptor 6 88.86% 97.36%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.75% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.63% 99.23%
CHEMBL4208 P20618 Proteasome component C5 87.67% 90.00%
CHEMBL2535 P11166 Glucose transporter 83.17% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.14% 99.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.65% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.28% 91.07%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 131752855
LOTUS LTS0207880
wikiData Q105139266