N-[2',6-dihydroxy-6-(2-oxopropyl)spiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide
| Internal ID | 7d38552a-d2c0-4fee-9609-f6169b69b81f |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | N-[2',6-dihydroxy-6-(2-oxopropyl)spiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide |
| SMILES (Canonical) | CCCCCCC(C)C=C(C)C=CC(=O)NC1CC2(C3C(O3)C(C4C2O4)(CC(=O)C)O)OC1O |
| SMILES (Isomeric) | CCCCCCC(C)C=C(C)C=CC(=O)NC1CC2(C3C(O3)C(C4C2O4)(CC(=O)C)O)OC1O |
| InChI | InChI=1S/C26H39NO7/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(29)27-18-14-26(34-24(18)30)22-20(32-22)25(31,13-17(4)28)21-23(26)33-21/h10-12,15,18,20-24,30-31H,5-9,13-14H2,1-4H3,(H,27,29) |
| InChI Key | YFJWRMZGLWVCSQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H39NO7 |
| Molecular Weight | 477.60 g/mol |
| Exact Mass | 477.27265258 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of N-[2',6-dihydroxy-6-(2-oxopropyl)spiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide](https://plantaedb.com/storage/docs/compounds/2023/11/85d4b020-86e5-11ee-9394-31dd6c6eb727.jpg "2D Structure of N-[2',6-dihydroxy-6-(2-oxopropyl)spiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-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 |
|---|---|---|---|---|
| CHEMBL299 | P17252 | Protein kinase C alpha | 98.65% | 98.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.26% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.28% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.07% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.00% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.83% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.09% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.92% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.37% | 97.79% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.75% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.35% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.56% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.02% | 91.19% |
| CHEMBL3776 | Q14790 | Caspase-8 | 87.45% | 97.06% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.20% | 82.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.83% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.75% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.39% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.53% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.41% | 95.93% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.21% | 96.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.14% | 96.61% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.79% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.90% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.27% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.64% | 96.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.29% | 96.38% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.89% | 91.24% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.42% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.39% | 92.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.21% | 96.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.03% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.03% | 97.25% |
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 | 146157237 |
| LOTUS | LTS0195783 |
| wikiData | Q104201640 |