Agrimonolide 6-O-beta-D-glucoside
| Internal ID | e6c3f169-172a-4ba2-b44a-583644adb06d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)CCC2CC3=C(C(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)O2 |
| SMILES (Isomeric) | COC1=CC=C(C=C1)CCC2CC3=C(C(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)O2 |
| InChI | InChI=1S/C24H28O10/c1-31-14-5-2-12(3-6-14)4-7-15-8-13-9-16(10-17(26)19(13)23(30)32-15)33-24-22(29)21(28)20(27)18(11-25)34-24/h2-3,5-6,9-10,15,18,20-22,24-29H,4,7-8,11H2,1H3 |
| InChI Key | GTNBYGORCDLAFG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O10 |
| Molecular Weight | 476.50 g/mol |
| Exact Mass | 476.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 2.20 |
| (3S)-6-(beta-D-Glucopyranosyloxy)-3,4-dihydro-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-1H-2-benzopyran-1-one; Agrimonolide 6-O-beta-D-glucopyranoside |
| 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 | 99.22% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.00% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.88% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.85% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.60% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.78% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.48% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.30% | 86.33% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 92.37% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.72% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.95% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.86% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.80% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.38% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.86% | 96.21% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.83% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.50% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.08% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.19% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.75% | 89.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.98% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.76% | 97.14% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.57% | 95.83% |
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.
| Agrimonia pilosa |
| Lawsonia inermis |
| PubChem | 78171650 |
| LOTUS | LTS0193766 |
| wikiData | Q105019087 |