Chrysoeriol glucuronide
Internal ID | 12c6f3e2-b733-4453-a697-ec335489cc45 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides |
IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid |
SMILES (Canonical) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O |
InChI | InChI=1S/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1 |
InChI Key | VLYLVFHVHHGXHX-SXFAUFNYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H20O12 |
Molecular Weight | 476.40 g/mol |
Exact Mass | 476.09547607 g/mol |
Topological Polar Surface Area (TPSA) | 192.00 Ų |
XlogP | 1.10 |
CHEBI:176367 |
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
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 | 98.54% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.84% | 89.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.53% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 95.00% | 90.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.16% | 94.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.07% | 99.15% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.94% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.86% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.09% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 92.68% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.34% | 99.17% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.97% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.27% | 96.09% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.03% | 97.36% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.36% | 95.78% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.93% | 95.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.42% | 94.45% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.16% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.02% | 95.89% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.53% | 94.73% |
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.
To see more specific details click the taxa you are interested in.
Antirrhinum majus |
Artemisia judaica |
Medicago arabica |
Monarda punctata |
Salvia fruticosa |
Salvia palaestina |
Tanacetum parthenium |
PubChem | 14630703 |
LOTUS | LTS0164669 |
wikiData | Q104387705 |