3,5-Decanediol, 1-(3,4-dimethoxyphenyl)-, 3,5-diacetate, (3R,5S)-
| Internal ID | 22e64049-7915-4674-9655-6749a2d7ee7a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(3R,5S)-3-acetyloxy-1-(3,4-dimethoxyphenyl)decan-5-yl] acetate |
| SMILES (Canonical) | CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CCCCC[C@@H](C[C@@H](CCC1=CC(=C(C=C1)OC)OC)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C22H34O6/c1-6-7-8-9-19(27-16(2)23)15-20(28-17(3)24)12-10-18-11-13-21(25-4)22(14-18)26-5/h11,13-14,19-20H,6-10,12,15H2,1-5H3/t19-,20+/m0/s1 |
| InChI Key | QCJKXQWAFFZFLJ-VQTJNVASSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O6 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 5.10 |
| DTXSID501269408 |
| HY-N10792 |
| CS-0636076 |
| (3R,5S)-O-Methyl-[6]-gingerdiol diacetate |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.34% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.66% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.73% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.61% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.36% | 96.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.56% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.75% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.08% | 95.50% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.26% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.88% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.41% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.37% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.11% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.55% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.29% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.51% | 95.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.38% | 89.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.68% | 93.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.07% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.66% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.54% | 94.73% |
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 | 101564407 |
| LOTUS | LTS0127305 |
| wikiData | Q105218256 |