luteolin 5-O-glucuronide
Internal ID | fbb9bf2a-30e1-4a0d-a4d5-9fa2dac24f09 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides |
IUPAC Name | (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
SMILES (Canonical) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O |
InChI | InChI=1S/C21H18O12/c22-8-4-13-15(11(25)6-12(31-13)7-1-2-9(23)10(24)3-7)14(5-8)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 |
InChI Key | FPKBUYIIWUFWOS-ZFORQUDYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H18O12 |
Molecular Weight | 462.40 g/mol |
Exact Mass | 462.07982601 g/mol |
Topological Polar Surface Area (TPSA) | 203.00 Ų |
XlogP | 0.20 |
Luteolin 5-glucuronide |
CHEBI:75727 |
luteolin 5-O-beta-D-glucoronopyranoside |
luteolin 5-O-beta-D-glucopyranosiduronic acid |
Q27145503 |
2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-yl beta-D-glucopyranosiduronic 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 | 99.15% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.14% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 97.53% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.16% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.77% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.86% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 91.77% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.00% | 86.33% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.84% | 95.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.58% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.42% | 94.00% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.25% | 91.71% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.69% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.93% | 99.23% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.91% | 83.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.60% | 94.45% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.97% | 95.64% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.19% | 94.73% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.03% | 91.19% |
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.
Dumortiera hirsuta |
PubChem | 72193663 |
LOTUS | LTS0085087 |
wikiData | Q27145503 |