(3,3,6a,7a-Tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl)methyl 6-oxooctadecanoate
| Internal ID | bf509b9a-5bda-47cc-b9c9-275fb3b5ccbe |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (3,3,6a,7a-tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl)methyl 6-oxooctadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCC(=O)CCCCC(=O)OCC1C2(CCCC(C2C(=O)C3C1(O3)C)(C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCC(=O)CCCCC(=O)OCC1C2(CCCC(C2C(=O)C3C1(O3)C)(C)C)C |
| InChI | InChI=1S/C33H56O5/c1-6-7-8-9-10-11-12-13-14-15-19-25(34)20-16-17-21-27(35)37-24-26-32(4)23-18-22-31(2,3)29(32)28(36)30-33(26,5)38-30/h26,29-30H,6-24H2,1-5H3 |
| InChI Key | PNYHEXNHQQZZLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H56O5 |
| Molecular Weight | 532.80 g/mol |
| Exact Mass | 532.41277488 g/mol |
| Topological Polar Surface Area (TPSA) | 73.00 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of (3,3,6a,7a-Tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl)methyl 6-oxooctadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/b71c19f0-8573-11ee-a0a6-d3c69ad1fde5.jpg "2D Structure of (3,3,6a,7a-Tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl)methyl 6-oxooctadecanoate")
| 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 | 98.65% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.59% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.64% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.26% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.10% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.54% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.66% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.39% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.86% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.80% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.40% | 91.81% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.22% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.57% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.56% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.39% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.23% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.54% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.30% | 96.43% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.74% | 95.92% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.70% | 90.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.53% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.37% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.32% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.39% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.07% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.77% | 95.89% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.36% | 97.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.01% | 91.49% |
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 | 163065229 |
| LOTUS | LTS0042854 |
| wikiData | Q104195119 |