Isorhamnetin 7-O-sulfate

Details

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Internal ID a5555a55-c58d-40ca-a145-643d0e2e64da
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols
IUPAC Name [3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H12O10S/c1-24-11-4-7(2-3-9(11)17)16-15(20)14(19)13-10(18)5-8(6-12(13)25-16)26-27(21,22)23/h2-6,17-18,20H,1H3,(H,21,22,23)
InChI Key MLSUXQHOSAZWQV-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O10S
Molecular Weight 396.30 g/mol
Exact Mass 396.01511775 g/mol
Topological Polar Surface Area (TPSA) 168.00 Ų
XlogP 1.30

Synonyms

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(3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl) hydrogen sulfate
[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate
RefChem:149923
Isorhamnetin 7-O-sulphate
Isorhamnetin 7-O-sulfuric acid
Isorhamnetin 7-O-sulphuric acid
56857-60-4
SCHEMBL3642142
LMPK12112397

2D Structure

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2D Structure of Isorhamnetin 7-O-sulfate

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 97.22% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.09% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.93% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.91% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.51% 99.15%
CHEMBL2581 P07339 Cathepsin D 93.30% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.01% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 90.27% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.55% 94.45%
CHEMBL3194 P02766 Transthyretin 88.98% 90.71%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 87.60% 98.11%
CHEMBL1951 P21397 Monoamine oxidase A 87.27% 91.49%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.72% 85.14%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 85.64% 95.53%
CHEMBL241 Q14432 Phosphodiesterase 3A 85.59% 92.94%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.03% 99.23%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 83.99% 86.92%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.08% 96.00%
CHEMBL3438 Q05513 Protein kinase C zeta 82.38% 88.48%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.05% 90.71%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.17% 100.00%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 81.13% 94.42%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.10% 99.17%

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.
Frankenia pulverulenta

Cross-Links

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PubChem 25164916
LOTUS LTS0078632
wikiData Q105167063