(3R,5S)-1-(3,4-dimethoxyphenyl)decane-3,5-diol
| Internal ID | 77175722-f733-4158-969f-2aeaa9b81069 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | (3R,5S)-1-(3,4-dimethoxyphenyl)decane-3,5-diol |
| SMILES (Canonical) | CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)O)O |
| SMILES (Isomeric) | CCCCC[C@@H](C[C@@H](CCC1=CC(=C(C=C1)OC)OC)O)O |
| InChI | InChI=1S/C18H30O4/c1-4-5-6-7-15(19)13-16(20)10-8-14-9-11-17(21-2)18(12-14)22-3/h9,11-12,15-16,19-20H,4-8,10,13H2,1-3H3/t15-,16+/m0/s1 |
| InChI Key | HDNGHNOEMOMCKM-JKSUJKDBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30O4 |
| Molecular Weight | 310.40 g/mol |
| Exact Mass | 310.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
| 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 | 98.57% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.06% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 95.70% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.29% | 97.25% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.29% | 92.08% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.21% | 90.20% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.62% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.88% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.56% | 98.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.05% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.58% | 91.11% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 85.82% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.69% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.05% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.73% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.31% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.78% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.69% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.89% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.37% | 95.89% |
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 | 162880661 |
| LOTUS | LTS0077771 |
| wikiData | Q105026433 |