Luteolin 7-(6'''-acetylallosyl-(1->2)-glucoside)

Details

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Internal ID c422e842-bdba-41c1-91e1-4d0272bf0781
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
IUPAC Name [(3S,4S,6S)-6-[(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C29H32O17/c1-10(31)41-9-20-23(37)24(38)26(40)28(45-20)46-27-25(39)22(36)19(8-30)44-29(27)42-12-5-15(34)21-16(35)7-17(43-18(21)6-12)11-2-3-13(32)14(33)4-11/h2-7,19-20,22-30,32-34,36-40H,8-9H2,1H3/t19?,20?,22-,23-,24+,25+,26?,27?,28+,29-/m1/s1
InChI Key SDLRUUXTNVUGJL-WJBWUEBSSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C29H32O17
Molecular Weight 652.60 g/mol
Exact Mass 652.16394955 g/mol
Topological Polar Surface Area (TPSA) 272.00 Ų
XlogP -1.10

Synonyms

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LMPK12110692

2D Structure

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2D Structure of Luteolin 7-(6'''-acetylallosyl-(1->2)-glucoside)

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 99.67% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 99.33% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.83% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.76% 85.14%
CHEMBL2581 P07339 Cathepsin D 96.38% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.65% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.29% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 92.75% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.37% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.27% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.99% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.14% 99.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.42% 97.09%
CHEMBL3194 P02766 Transthyretin 85.28% 90.71%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 83.88% 95.78%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 83.88% 86.92%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.59% 94.80%
CHEMBL3922 P50579 Methionine aminopeptidase 2 81.76% 97.28%
CHEMBL5255 O00206 Toll-like receptor 4 80.85% 92.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.83% 95.89%
CHEMBL3714130 P46095 G-protein coupled receptor 6 80.79% 97.36%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.57% 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.
Stachys aegyptiaca

Cross-Links

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PubChem 44258116
LOTUS LTS0223654
wikiData Q105250732