2-(Hydroxymethyl)-6-[8-hydroxy-6-methyl-4-propan-2-yl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]oxyoxane-3,4,5-triol
| Internal ID | 54575903-86ab-4d04-a1fe-a5dbf516126b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[8-hydroxy-6-methyl-4-propan-2-yl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36O13/c1-9(2)12-5-11(36-25-22(34)20(32)18(30)15(7-27)37-25)6-14-13(12)4-10(3)24(17(14)29)39-26-23(35)21(33)19(31)16(8-28)38-26/h4-6,9,15-16,18-23,25-35H,7-8H2,1-3H3 |
| InChI Key | PBPUJOQMHOWUHI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O13 |
| Molecular Weight | 556.60 g/mol |
| Exact Mass | 556.21559120 g/mol |
| Topological Polar Surface Area (TPSA) | 219.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[8-hydroxy-6-methyl-4-propan-2-yl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/3bb2aa60-853d-11ee-8723-41418d6d3d43.jpg "2D Structure of 2-(Hydroxymethyl)-6-[8-hydroxy-6-methyl-4-propan-2-yl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]oxyoxane-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.14% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.48% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.04% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.26% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.03% | 96.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.69% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.47% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.33% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.52% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.45% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.32% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.88% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.02% | 93.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.33% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.14% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.84% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.22% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.09% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.92% | 90.71% |
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.
| Alangium premnifolium |
| PubChem | 162953730 |
| LOTUS | LTS0085958 |
| wikiData | Q105205343 |