Cytospolide N
| Internal ID | 02853e50-8cc3-4b8f-9cba-f514f672e0ac |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | 5-[(1S,2R,5R,6S,7R,8R)-6,7-dihydroxy-5-methyl-4-oxo-3,11-dioxabicyclo[6.2.1]undecan-2-yl]pentyl acetate |
| SMILES (Canonical) | CC1C(C(C2CCC(O2)C(OC1=O)CCCCCOC(=O)C)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H]([C@H]([C@H]2CC[C@H](O2)[C@H](OC1=O)CCCCCOC(=O)C)O)O |
| InChI | InChI=1S/C17H28O7/c1-10-15(19)16(20)14-8-7-13(23-14)12(24-17(10)21)6-4-3-5-9-22-11(2)18/h10,12-16,19-20H,3-9H2,1-2H3/t10-,12-,13+,14-,15+,16+/m1/s1 |
| InChI Key | AXMYBKVKZPWGTH-BAGFCZJQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H28O7 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
| 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 | 97.43% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.08% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.57% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.57% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.78% | 90.08% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 87.68% | 92.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.21% | 89.67% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.91% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.27% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.24% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.09% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.48% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.58% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.20% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.45% | 100.00% |
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 | 56927437 |
| LOTUS | LTS0090267 |
| wikiData | Q77278515 |