N-[3-[5-(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]but-3-enyl]-7-methoxytetradec-4-enamide
| Internal ID | 751883ee-40f4-4e01-87f3-ec03907537bd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | N-[3-[5-(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]but-3-enyl]-7-methoxytetradec-4-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H53NO9/c1-7-8-9-10-12-15-24(38-4)16-13-11-14-17-27(35)34-19-18-23(3)33-30(37)22(2)20-25(31(33)43-33)42-32-29(40-6)28(36)26(39-5)21-41-32/h11,13,20,24-26,28-29,31-32,36H,3,7-10,12,14-19,21H2,1-2,4-6H3,(H,34,35) |
| InChI Key | UZMVEOVJASEKLP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H53NO9 |
| Molecular Weight | 607.80 g/mol |
| Exact Mass | 607.37203227 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of N-[3-[5-(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]but-3-enyl]-7-methoxytetradec-4-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/dbf58950-85bd-11ee-a879-85b4f617b89d.jpg "2D Structure of N-[3-[5-(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]but-3-enyl]-7-methoxytetradec-4-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.69% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.71% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.56% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.17% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.97% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.85% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.68% | 94.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.63% | 92.88% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.07% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.61% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.55% | 97.79% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.90% | 96.90% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.87% | 90.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.86% | 97.29% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.67% | 91.19% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.08% | 97.28% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.91% | 94.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.29% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.85% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.44% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.86% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.72% | 91.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.40% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.96% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.86% | 90.71% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 83.30% | 96.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.69% | 97.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.54% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.49% | 92.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.92% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.53% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.31% | 96.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.31% | 92.86% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.99% | 95.71% |
| CHEMBL5028 | O14672 | ADAM10 | 80.41% | 97.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.30% | 97.21% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.12% | 89.67% |
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 | 73821464 |
| LOTUS | LTS0110327 |
| wikiData | Q104199120 |