5-[4-[[5,6-Dihydroxy-3-(hydroxymethyl)-4-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxycyclohex-2-en-1-yl]amino]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
| Internal ID | f42196d9-9971-4da4-95d0-e05cb2b2c3a6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Aminocyclitols and derivatives |
| IUPAC Name | 5-[4-[[5,6-dihydroxy-3-(hydroxymethyl)-4-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxycyclohex-2-en-1-yl]amino]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H45NO18/c28-3-7-1-9(13(32)15(34)21(7)44-23-11(5-30)42-25(40)19(38)17(23)36)27-10-2-8(4-29)22(16(35)14(10)33)45-24-12(6-31)43-26(41)20(39)18(24)37/h1,8-41H,2-6H2 |
| InChI Key | FWGWDSGGGWJTPF-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H45NO18 |
| Molecular Weight | 659.60 g/mol |
| Exact Mass | 659.26366359 g/mol |
| Topological Polar Surface Area (TPSA) | 332.00 Ų |
| XlogP | -9.50 |
| There are no found synonyms. |
![2D Structure of 5-[4-[[5,6-Dihydroxy-3-(hydroxymethyl)-4-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxycyclohex-2-en-1-yl]amino]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol](https://plantaedb.com/storage/docs/compounds/2023/11/309a1060-86ac-11ee-862d-b1349b60ed0e.jpg "2D Structure of 5-[4-[[5,6-Dihydroxy-3-(hydroxymethyl)-4-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxycyclohex-2-en-1-yl]amino]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-2,3,4-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 | 98.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.56% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.22% | 95.93% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.84% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.96% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.75% | 97.79% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.18% | 83.82% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.20% | 95.83% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.09% | 96.61% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.97% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.37% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.83% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.27% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.04% | 94.45% |
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 | 162816409 |
| LOTUS | LTS0163184 |
| wikiData | Q104397244 |