12,16-Dihydroxy-13-methoxy-4,7-dimethyl-14-oxa-4-azatricyclo[11.2.1.02,7]hexadec-1-ene-3,8-dione
| Internal ID | cd922482-0c95-4030-ab0c-8b42766cd7f5 |
| Taxonomy | Organoheterocyclic compounds > Piperidines > Piperidinones |
| IUPAC Name | 12,16-dihydroxy-13-methoxy-4,7-dimethyl-14-oxa-4-azatricyclo[11.2.1.02,7]hexadec-1-ene-3,8-dione |
| SMILES (Canonical) | CC12CCN(C(=O)C1=C3COC(C3O)(C(CCCC2=O)O)OC)C |
| SMILES (Isomeric) | CC12CCN(C(=O)C1=C3COC(C3O)(C(CCCC2=O)O)OC)C |
| InChI | InChI=1S/C17H25NO6/c1-16-7-8-18(2)15(22)13(16)10-9-24-17(23-3,14(10)21)12(20)6-4-5-11(16)19/h12,14,20-21H,4-9H2,1-3H3 |
| InChI Key | ZVQQIQCUQVSFRY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H25NO6 |
| Molecular Weight | 339.40 g/mol |
| Exact Mass | 339.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 96.30 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
![2D Structure of 12,16-Dihydroxy-13-methoxy-4,7-dimethyl-14-oxa-4-azatricyclo[11.2.1.02,7]hexadec-1-ene-3,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1216-dihydroxy-13-methoxy-47-dimethyl-14-oxa-4-azatricyclo1121027hexadec-1-ene-38-dione.jpg "2D Structure of 12,16-Dihydroxy-13-methoxy-4,7-dimethyl-14-oxa-4-azatricyclo[11.2.1.02,7]hexadec-1-ene-3,8-dione")
| 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 | 95.60% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.26% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.53% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.71% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.93% | 93.04% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.76% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.37% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.17% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.48% | 92.94% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 86.13% | 92.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.81% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.83% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.76% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.86% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.54% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.45% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.75% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.39% | 85.14% |
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.
| Cirsium arvense |
| PubChem | 74323263 |
| LOTUS | LTS0205257 |
| wikiData | Q105384521 |