2-[(4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxazin-3-yl]-2-iminoacetic acid
| Internal ID | 2ee43881-5f1a-44ae-8e1f-95c821687113 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 2-[(4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxazin-3-yl]-2-iminoacetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H18N2O7/c1-4-10(6(13)11(18)19)21-12-7(14(4)2)9(17)8(16)5(3-15)20-12/h5,7-9,12-13,15-17H,3H2,1-2H3,(H,18,19)/t5-,7-,8+,9-,12-/m1/s1 |
| InChI Key | WSWRZDSZMARMQJ-GXIXWSSHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H18N2O7 |
| Molecular Weight | 302.28 g/mol |
| Exact Mass | 302.11140092 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 2-[(4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxazin-3-yl]-2-iminoacetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7de52ec0-8592-11ee-a899-1ba9b6b8b106.jpg "2D Structure of 2-[(4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxazin-3-yl]-2-iminoacetic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.61% | 96.09% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.68% | 98.46% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.24% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.29% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.11% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.56% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.34% | 96.95% |
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 | 163195566 |
| LOTUS | LTS0209503 |
| wikiData | Q105312187 |