N-(2'-hydroxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl)-4,6-dimethyldodec-2-enamide
| Internal ID | ab5fa883-99ea-4033-843b-3c9479e06592 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | N-(2'-hydroxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl)-4,6-dimethyldodec-2-enamide |
| SMILES (Canonical) | CCCCCCC(C)CC(C)C=CC(=O)NC1CC2(C3C(O3)C(=O)C4C2O4)OC1O |
| SMILES (Isomeric) | CCCCCCC(C)CC(C)C=CC(=O)NC1CC2(C3C(O3)C(=O)C4C2O4)OC1O |
| InChI | InChI=1S/C23H35NO6/c1-4-5-6-7-8-13(2)11-14(3)9-10-16(25)24-15-12-23(30-22(15)27)20-18(28-20)17(26)19-21(23)29-19/h9-10,13-15,18-22,27H,4-8,11-12H2,1-3H3,(H,24,25) |
| InChI Key | VUFZKMYXIBBYJI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H35NO6 |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.24643784 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of N-(2'-hydroxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl)-4,6-dimethyldodec-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/1eda21f0-860c-11ee-90dd-a5cc7d34fd2e.jpg "2D Structure of N-(2'-hydroxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl)-4,6-dimethyldodec-2-enamide")
| 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 | 99.36% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 98.45% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.01% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.36% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.24% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.53% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.16% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.14% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.76% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.18% | 89.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.03% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.49% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.03% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.79% | 89.34% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.78% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.44% | 96.47% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.19% | 92.86% |
| CHEMBL268 | P43235 | Cathepsin K | 84.96% | 96.85% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.84% | 96.61% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.03% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.82% | 95.93% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.22% | 91.81% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.21% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.92% | 90.71% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 81.55% | 82.05% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.35% | 99.35% |
| CHEMBL3776 | Q14790 | Caspase-8 | 80.77% | 97.06% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.76% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.29% | 90.93% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.04% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 72807502 |
| LOTUS | LTS0091091 |
| wikiData | Q105297205 |