4-[2-[(2S,4R,6R)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-pentyl-1,3-dioxan-4-yl]ethyl]-2-methoxyphenol
| Internal ID | 4c855919-5937-4d17-b828-4c5d747c36c4 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 4-[2-[(2S,4R,6R)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-pentyl-1,3-dioxan-4-yl]ethyl]-2-methoxyphenol |
| SMILES (Canonical) | CCCCCC1CC(OC(O1)C=C(C)CCC=C(C)C)CCC2=CC(=C(C=C2)O)OC |
| SMILES (Isomeric) | CCCCC[C@@H]1C[C@H](O[C@H](O1)/C=C(\C)/CCC=C(C)C)CCC2=CC(=C(C=C2)O)OC |
| InChI | InChI=1S/C27H42O4/c1-6-7-8-12-23-19-24(15-13-22-14-16-25(28)26(18-22)29-5)31-27(30-23)17-21(4)11-9-10-20(2)3/h10,14,16-18,23-24,27-28H,6-9,11-13,15,19H2,1-5H3/b21-17+/t23-,24-,27+/m1/s1 |
| InChI Key | MJGVDELZBZAFOX-SLENZNLWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O4 |
| Molecular Weight | 430.60 g/mol |
| Exact Mass | 430.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 4-[2-[(2S,4R,6R)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-pentyl-1,3-dioxan-4-yl]ethyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/7b8ff990-87d1-11ee-bf61-476ba12372fc.jpg "2D Structure of 4-[2-[(2S,4R,6R)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-pentyl-1,3-dioxan-4-yl]ethyl]-2-methoxyphenol")
| 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 | 99.49% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 99.11% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.88% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.49% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.68% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.53% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.64% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.54% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.32% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.73% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.61% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.16% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.28% | 92.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.40% | 97.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.71% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.95% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.68% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.60% | 89.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.34% | 95.50% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.99% | 92.68% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.27% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.08% | 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.
| Zingiber officinale |
| PubChem | 163186843 |
| LOTUS | LTS0127910 |
| wikiData | Q105165414 |