(2S,3R,4S,5S,6R)-6-[(1R,2S)-1-acetamido-2-hydroxypropyl]-2-[(2R)-2,3-dihydroxypropoxy]-3,4-dihydroxy-5-[[(3S)-3-hydroxybutanoyl]amino]oxane-2-carboxylic acid
| Internal ID | 8d0f330a-6c2b-413f-9a40-b1e74f3ff67c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glucuronides > C-glucuronides |
| IUPAC Name | (2S,3R,4S,5S,6R)-6-[(1R,2S)-1-acetamido-2-hydroxypropyl]-2-[(2R)-2,3-dihydroxypropoxy]-3,4-dihydroxy-5-[[(3S)-3-hydroxybutanoyl]amino]oxane-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H32N2O12/c1-7(22)4-11(26)20-13-14(27)16(28)18(17(29)30,31-6-10(25)5-21)32-15(13)12(8(2)23)19-9(3)24/h7-8,10,12-16,21-23,25,27-28H,4-6H2,1-3H3,(H,19,24)(H,20,26)(H,29,30)/t7-,8-,10+,12+,13-,14-,15+,16+,18-/m0/s1 |
| InChI Key | ONDFFYFWLFFXRM-FUWXWFRCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H32N2O12 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.19552446 g/mol |
| Topological Polar Surface Area (TPSA) | 235.00 Ų |
| XlogP | -3.90 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-6-[(1R,2S)-1-acetamido-2-hydroxypropyl]-2-[(2R)-2,3-dihydroxypropoxy]-3,4-dihydroxy-5-[[(3S)-3-hydroxybutanoyl]amino]oxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/565077d0-869b-11ee-bf6f-4d8f37bbd6bd.jpg "2D Structure of (2S,3R,4S,5S,6R)-6-[(1R,2S)-1-acetamido-2-hydroxypropyl]-2-[(2R)-2,3-dihydroxypropoxy]-3,4-dihydroxy-5-[[(3S)-3-hydroxybutanoyl]amino]oxane-2-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.87% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.71% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.71% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.88% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.86% | 85.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.83% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.38% | 99.17% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.04% | 98.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.11% | 90.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.38% | 96.90% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.21% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.67% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.47% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.44% | 83.82% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.27% | 97.21% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.24% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162942003 |
| LOTUS | LTS0035671 |
| wikiData | Q105194598 |