2-(Hydroxymethyl)-6-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
| Internal ID | 7f58786b-35b3-4fa7-9754-b7cacc342a35 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC |
| InChI | InChI=1S/C28H38O14/c1-37-15-7-5-13(6-8-15)3-4-14-9-16(38-2)26(42-28-25(36)23(34)21(32)19(12-30)41-28)17(10-14)39-27-24(35)22(33)20(31)18(11-29)40-27/h5-10,18-25,27-36H,3-4,11-12H2,1-2H3 |
| InChI Key | IUHPHRNJNAEZNF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O14 |
| Molecular Weight | 598.60 g/mol |
| Exact Mass | 598.22615588 g/mol |
| Topological Polar Surface Area (TPSA) | 217.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/10a55bb0-8567-11ee-afeb-bd9365dd88d7.jpg "2D Structure of 2-(Hydroxymethyl)-6-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol")
| 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 | 98.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.41% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.73% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.01% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.21% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.75% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.55% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.08% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.26% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.14% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.74% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.68% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.82% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.86% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.62% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.96% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.93% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.93% | 94.73% |
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.
| Dendrobium moniliforme |
| PubChem | 162914884 |
| LOTUS | LTS0148681 |
| wikiData | Q105120560 |