2,4-Dodecadienamide, N-(dihydro-5'-hydroxy-6-oxospiro(4,8-dioxatricyclo(5.1.0.0(3,5))octane-2,2'(3'H)-furan)-4'-yl)-4,6-dimethyl-
| Internal ID | 9e652b04-2613-45da-a10c-5fbc61826590 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (2E,4E,6R)-N-[(1S,3R,5S,7R)-2'-hydroxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H33NO6/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/h9-11,13,15,18-22,27H,4-8,12H2,1-3H3,(H,24,25)/b10-9+,14-11+/t13-,15?,18-,19+,20-,21+,22?,23?/m1/s1 |
| InChI Key | JHTWWPWUODMKEO-PHJKOLFRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H33NO6 |
| Molecular Weight | 419.50 g/mol |
| Exact Mass | 419.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 3.60 |
| Aranorosine |
| 117184-53-9 |
| 2,4-Dodecadienamide, N-(dihydro-5'-hydroxy-6-oxospiro(4,8-dioxatricyclo(5.1.0.0(3,5))octane-2,2'(3'H)-furan)-4'-yl)-4,6-dimethyl- |
| HB3768 |
| 2,4-Dodecadienamide, N-(dihydro-5'-hydroxy-6-oxospiro(4,8-dioxatricyclo(5.1.0.0(sup 3,5))octane-2,2'(3'H)-furan)-4'-yl)-4,6-dimethyl- |
| J-003530 |
| (2E,4E,6R)-N-[(1S,3R,5S,7R)-2'-hydroxy-6-oxospiro[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 | 98.81% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.65% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.08% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.67% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.64% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.58% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.17% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.90% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.31% | 89.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.26% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.44% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.53% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.73% | 92.86% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.89% | 97.06% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.53% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.26% | 91.19% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.84% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.72% | 96.47% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.94% | 96.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.44% | 96.61% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.33% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.11% | 97.14% |
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 | 6444217 |
| LOTUS | LTS0070650 |
| wikiData | Q105128249 |