2-Methoxy-4-allylphenyl 6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside
| Internal ID | 1c4310e2-c4de-4cf6-9a61-aaf23e3dd919 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@](CO3)(CO)O)O)O)O)O |
| InChI | InChI=1S/C21H30O11/c1-3-4-11-5-6-12(13(7-11)28-2)31-19-17(25)16(24)15(23)14(32-19)8-29-20-18(26)21(27,9-22)10-30-20/h3,5-7,14-20,22-27H,1,4,8-10H2,2H3/t14-,15-,16+,17-,18+,19-,20-,21-/m1/s1 |
| InChI Key | PCNDZKRTANOUCK-RHAOSNMYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O11 |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | -1.00 |
| 136083-96-0 |
| (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol |
| Compound NP-019053 |
| AKOS040735943 |
| 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 | 97.45% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.44% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.96% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.41% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.83% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.74% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.76% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.68% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.08% | 94.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.69% | 85.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.67% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.13% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.37% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.59% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.45% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.12% | 89.00% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.60% | 97.78% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.52% | 86.92% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.99% | 96.90% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.99% | 97.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.07% | 97.36% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.95% | 96.95% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.33% | 89.44% |
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.
| Nepeta italica subsp. cadmea |
| Rhodiola rosea |
| Tinospora sinensis |
| Viburnum dilatatum |
| PubChem | 15689810 |
| LOTUS | LTS0097237 |
| wikiData | Q105205887 |