(4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
| Internal ID | 7e3d6bdd-262c-4a30-91fa-c5cacc815fde |
| Taxonomy | Organosulfur compounds > Imidothioesters > Imidothiolactones |
| IUPAC Name | (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole |
| SMILES (Canonical) | CC1CC1C2=NC(CS2)C=CCCC=CC=C(C)CCC(CC=C)OC |
| SMILES (Isomeric) | C[C@H]1CC1C2=N[C@@H](CS2)/C=C\CC/C=C/C=C(\C)/CC[C@H](CC=C)OC |
| InChI | InChI=1S/C23H35NOS/c1-5-11-21(25-4)15-14-18(2)12-9-7-6-8-10-13-20-17-26-23(24-20)22-16-19(22)3/h5,7,9-10,12-13,19-22H,1,6,8,11,14-17H2,2-4H3/b9-7+,13-10-,18-12+/t19-,20+,21-,22?/m0/s1 |
| InChI Key | LUEYTMPPCOCKBX-ODRFWBCESA-N |
| Popularity | 29 references in papers |
| Molecular Formula | C23H35NOS |
| Molecular Weight | 373.60 g/mol |
| Exact Mass | 373.24393591 g/mol |
| Topological Polar Surface Area (TPSA) | 46.90 Ų |
| XlogP | 6.10 |
| (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole |
| SCHEMBL14363315 |
| Thiazole, 4,5-dihydro-4-(11-methoxy-8-methyl-1,5,7,13-tetradecatetraenyl)-2-(2-methylcyclopropyl)-, (1R-(1alpha(R*(1Z,5E,7E,11R*)),2alpha))- |
| (1R-(1alpha(R*(1Z,5E,7E,11R*)),2alpha))-4,5-Dihydro-4-(11-methoxy-8-methyl-1,5,7,13-tetradecatetraenyl)-2-(2-methylcyclopropyl)thiazole |
| 4,5-Dihydro-4-(11-methoxy-8-methyl-1,5,7,13-tetradecatetraenyl)-2-(2-methylcyclopropyl)thiazole (1R-(1alpha(R*(1Z,5E,7E,11R*)),2alpha))- |
![2D Structure of (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole](https://plantaedb.com/storage/docs/compounds/2023/11/e2a2ed30-86c6-11ee-9f62-4948fd4e1736.jpg "2D Structure of (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole")
| 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 | 97.87% | 96.09% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 94.51% | 97.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.38% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.36% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.91% | 97.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.05% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.64% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.60% | 92.94% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.50% | 94.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.21% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.14% | 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 | 6438908 |
| LOTUS | LTS0207263 |
| wikiData | Q105157398 |