(2,3,4-Trihydroxy-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl)methyl hexopyranoside
| Internal ID | 835309e0-f4bb-4133-889d-cd521891ffc2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2-(hydroxymethyl)-6-[[2,3,4-trihydroxy-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]methoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H35NO13/c22-3-6-1-8(13(26)16(29)11(6)24)21-9-2-7(12(25)17(30)14(9)27)5-33-20-19(32)18(31)15(28)10(4-23)34-20/h1,7-32H,2-5H2 |
| InChI Key | DZOSEJASWWCMOA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H35NO13 |
| Molecular Weight | 497.50 g/mol |
| Exact Mass | 497.21084017 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | -6.30 |
| (2,3,4-trihydroxy-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl)methyl hexopyranoside |
| 148523-91-5 |
| SCHEMBL5158672 |
| DTXSID40276565 |
![2D Structure of (2,3,4-Trihydroxy-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl)methyl hexopyranoside](https://plantaedb.com/storage/docs/compounds/2023/11/3d1e04b0-85c6-11ee-ae30-1f04b956c40b.jpg "2D Structure of (2,3,4-Trihydroxy-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl)methyl hexopyranoside")
| 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 | 98.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.26% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.65% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.61% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.73% | 86.92% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.63% | 95.83% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.85% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.09% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.60% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.92% | 96.61% |
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.
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| There are no matching plants. |
| PubChem | 166726 |
| LOTUS | LTS0202339 |
| wikiData | Q82007139 |