N-[[(2S,3R,5R,6R)-6-[(3E,5E)-4,5-dimethyl-7-oxohepta-3,5-dienyl]-3-hydroxy-5-methyloxan-2-yl]methyl]acetamide
| Internal ID | e2d6aff2-bc84-48e0-a496-b26ddb2527e0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | N-[[(2S,3R,5R,6R)-6-[(3E,5E)-4,5-dimethyl-7-oxohepta-3,5-dienyl]-3-hydroxy-5-methyloxan-2-yl]methyl]acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H29NO4/c1-12(13(2)8-9-20)6-5-7-17-14(3)10-16(22)18(23-17)11-19-15(4)21/h6,8-9,14,16-18,22H,5,7,10-11H2,1-4H3,(H,19,21)/b12-6+,13-8+/t14-,16-,17-,18+/m1/s1 |
| InChI Key | SFLJQCLAPBTFNR-CSVGCSNTSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C18H29NO4 |
| Molecular Weight | 323.40 g/mol |
| Exact Mass | 323.20965841 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of N-[[(2S,3R,5R,6R)-6-[(3E,5E)-4,5-dimethyl-7-oxohepta-3,5-dienyl]-3-hydroxy-5-methyloxan-2-yl]methyl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/2d9354a0-8690-11ee-960f-4d815cc09cd0.jpg "2D Structure of N-[[(2S,3R,5R,6R)-6-[(3E,5E)-4,5-dimethyl-7-oxohepta-3,5-dienyl]-3-hydroxy-5-methyloxan-2-yl]methyl]acetamide")
| 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 | 96.50% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.78% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.67% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.21% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.80% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.15% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.57% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.46% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.37% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.08% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.54% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.48% | 95.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.46% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.01% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 53392810 |
| LOTUS | LTS0099812 |
| wikiData | Q105251827 |