(2R,4S,5S,5'R,6S,11S)-5,6-dihydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethylspiro[1,10-diazatricyclo[6.4.0.02,6]dodec-7-ene-4,2'-oxolane]-3',9,12-trione
| Internal ID | 6f78bb48-6bdf-4bb6-851f-9b35b004c423 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (2R,4S,5S,5'R,6S,11S)-5,6-dihydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethylspiro[1,10-diazatricyclo[6.4.0.02,6]dodec-7-ene-4,2'-oxolane]-3',9,12-trione |
| SMILES (Canonical) | CC1C(C(=O)C2(O1)CC3C(C2O)(C=C4N3C(=O)C(N(C4=O)C)CO)O)(C)C |
| SMILES (Isomeric) | C[C@@H]1C(C(=O)[C@]2(O1)C[C@@H]3[C@]([C@@H]2O)(C=C4N3C(=O)[C@@H](N(C4=O)C)CO)O)(C)C |
| InChI | InChI=1S/C18H24N2O7/c1-8-16(2,3)14(24)18(27-8)6-11-17(26,15(18)25)5-9-12(22)19(4)10(7-21)13(23)20(9)11/h5,8,10-11,15,21,25-26H,6-7H2,1-4H3/t8-,10+,11-,15+,17+,18-/m1/s1 |
| InChI Key | NEEWDQXYMAKGIR-KAAYZNGISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H24N2O7 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.15835111 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | -1.50 |
| There are no found synonyms. |
![2D Structure of (2R,4S,5S,5'R,6S,11S)-5,6-dihydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethylspiro[1,10-diazatricyclo[6.4.0.02,6]dodec-7-ene-4,2'-oxolane]-3',9,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/d74348a0-862f-11ee-b961-2de4a3de801e.jpg "2D Structure of (2R,4S,5S,5'R,6S,11S)-5,6-dihydroxy-11-(hydroxymethyl)-4',4',5',10-tetramethylspiro[1,10-diazatricyclo[6.4.0.02,6]dodec-7-ene-4,2'-oxolane]-3',9,12-trione")
| 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 | 97.89% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.38% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.61% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.73% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.04% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.32% | 97.09% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.95% | 94.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.31% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.63% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.55% | 90.08% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.09% | 95.93% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.99% | 86.92% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.12% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.40% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.15% | 94.75% |
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 | 162878087 |
| LOTUS | LTS0226955 |
| wikiData | Q105177868 |