Demethylagrimonolide 6-O-glucoside
Internal ID | 60265049-02be-47a5-94f1-f8ef1538ac65 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | (3S)-8-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one |
SMILES (Canonical) | C1C(OC(=O)C2=C1C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)CCC4=CC=C(C=C4)O |
SMILES (Isomeric) | C1[C@@H](OC(=O)C2=C1C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCC4=CC=C(C=C4)O |
InChI | InChI=1S/C23H26O10/c24-10-17-19(27)20(28)21(29)23(33-17)32-15-8-12-7-14(31-22(30)18(12)16(26)9-15)6-3-11-1-4-13(25)5-2-11/h1-2,4-5,8-9,14,17,19-21,23-29H,3,6-7,10H2/t14-,17+,19+,20-,21+,23+/m0/s1 |
InChI Key | QGOYZOZLRJZGAK-XMFIXVCISA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H26O10 |
Molecular Weight | 462.40 g/mol |
Exact Mass | 462.15259702 g/mol |
Topological Polar Surface Area (TPSA) | 166.00 Ų |
XlogP | 1.90 |
AKOS040763289 |
1257408-55-1 |
![2D Structure of Demethylagrimonolide 6-O-glucoside 2D Structure of Demethylagrimonolide 6-O-glucoside](https://plantaedb.com/storage/docs/compounds/2023/11/demethylagrimonolide-6-o-glucoside.jpg)
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 | 98.97% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.68% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.35% | 95.89% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.16% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.00% | 97.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.91% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.33% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.28% | 86.33% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.90% | 96.21% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.74% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.66% | 96.09% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.27% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.33% | 89.00% |
CHEMBL220 | P22303 | Acetylcholinesterase | 87.87% | 94.45% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.06% | 95.83% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.05% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.22% | 86.92% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.71% | 94.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.17% | 96.95% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 83.85% | 95.93% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.04% | 90.00% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.65% | 85.00% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.44% | 96.37% |
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 |
PubChem | 49818115 |
LOTUS | LTS0252231 |
wikiData | Q105220511 |