[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-methoxy-4-[(1S,2S)-1,2,3-trihydroxypropyl]phenoxy]oxan-3-yl] 4-methoxybenzoate
| Internal ID | 32bfd069-0322-4277-a3c0-a19308038caa |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-methoxy-4-[(1S,2S)-1,2,3-trihydroxypropyl]phenoxy]oxan-3-yl] 4-methoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30O12/c1-32-14-6-3-12(4-7-14)23(31)36-22-18(11-26)35-24(21(30)20(22)29)34-16-8-5-13(9-17(16)33-2)19(28)15(27)10-25/h3-9,15,18-22,24-30H,10-11H2,1-2H3/t15-,18+,19-,20+,21+,22+,24+/m0/s1 |
| InChI Key | BZVMTFGLYYRTQI-HHBZCAFQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H30O12 |
| Molecular Weight | 510.50 g/mol |
| Exact Mass | 510.17372639 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-methoxy-4-[(1S,2S)-1,2,3-trihydroxypropyl]phenoxy]oxan-3-yl] 4-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/9c3cef30-8590-11ee-b90b-07fc51b5c6f4.jpg "2D Structure of [(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-methoxy-4-[(1S,2S)-1,2,3-trihydroxypropyl]phenoxy]oxan-3-yl] 4-methoxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.65% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 97.09% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.21% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.95% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.09% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.37% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.35% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.94% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.48% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.13% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.62% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.86% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.41% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.02% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.80% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.12% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.12% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.53% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.53% | 91.07% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.44% | 95.50% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.85% | 93.18% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.14% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 163048391 |
| LOTUS | LTS0023761 |
| wikiData | Q104950707 |