5-[5-(Hydroxymethyl)-6-methyl-4-oxatricyclo[3.3.1.02,7]nonan-2-yl]-2-methyl-4-oxopent-2-enamide
| Internal ID | f0cc4298-504c-4ab2-bd59-ed1f104c2828 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 5-[5-(hydroxymethyl)-6-methyl-4-oxatricyclo[3.3.1.02,7]nonan-2-yl]-2-methyl-4-oxopent-2-enamide |
| SMILES (Canonical) | CC1C2CC3C2(COC1(C3)CO)CC(=O)C=C(C)C(=O)N |
| SMILES (Isomeric) | CC1C2CC3C2(COC1(C3)CO)CC(=O)C=C(C)C(=O)N |
| InChI | InChI=1S/C16H23NO4/c1-9(14(17)20)3-12(19)6-15-8-21-16(7-18)5-11(15)4-13(15)10(16)2/h3,10-11,13,18H,4-8H2,1-2H3,(H2,17,20) |
| InChI Key | LILJBIXCHRHJEL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H23NO4 |
| Molecular Weight | 293.36 g/mol |
| Exact Mass | 293.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 89.60 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 5-[5-(Hydroxymethyl)-6-methyl-4-oxatricyclo[3.3.1.02,7]nonan-2-yl]-2-methyl-4-oxopent-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/5-5-hydroxymethyl-6-methyl-4-oxatricyclo331027nonan-2-yl-2-methyl-4-oxopent-2-enamide.jpg "2D Structure of 5-[5-(Hydroxymethyl)-6-methyl-4-oxatricyclo[3.3.1.02,7]nonan-2-yl]-2-methyl-4-oxopent-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.75% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.50% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.02% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.44% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.47% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.01% | 94.45% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 87.98% | 97.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.81% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.78% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.43% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.00% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.76% | 91.07% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.85% | 90.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.19% | 92.94% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 84.65% | 94.05% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.34% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.21% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.55% | 89.50% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 81.42% | 95.27% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.22% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.87% | 95.93% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.58% | 100.00% |
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 | 162904065 |
| LOTUS | LTS0028310 |
| wikiData | Q104170972 |