N-(6-chloro-1,7,10-trihydroxy-5-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl)-4,6-dimethyldodeca-2,4-dienamide
| Internal ID | 48be257d-1a16-4747-a90a-30c52f848aec |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | N-(6-chloro-1,7,10-trihydroxy-5-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl)-4,6-dimethyldodeca-2,4-dienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H34ClNO6/c1-4-5-6-7-8-13(2)11-14(3)9-10-16(26)25-15-12-22(30)20-17(31-20)19(28)23(24,18(15)27)21(22)29/h9-11,13,15,17-18,20-21,27,29-30H,4-8,12H2,1-3H3,(H,25,26) |
| InChI Key | VFBABUVNVGVVJL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H34ClNO6 |
| Molecular Weight | 456.00 g/mol |
| Exact Mass | 455.2074655 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of N-(6-chloro-1,7,10-trihydroxy-5-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl)-4,6-dimethyldodeca-2,4-dienamide](https://plantaedb.com/storage/docs/compounds/2023/11/c45ecb80-85c8-11ee-b358-f961bcf5437f.jpg "2D Structure of N-(6-chloro-1,7,10-trihydroxy-5-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl)-4,6-dimethyldodeca-2,4-dienamide")
| 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 | 98.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.80% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.49% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.95% | 98.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.79% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.64% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.56% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.13% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.23% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.32% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.09% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.51% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.47% | 97.79% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.22% | 92.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.33% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.96% | 96.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.85% | 92.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.67% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.07% | 97.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.79% | 96.47% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.40% | 91.24% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.31% | 98.59% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.17% | 97.21% |
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 | 73228833 |
| LOTUS | LTS0133515 |
| wikiData | Q104199303 |