(3R,5S)-1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-diol
| Internal ID | 137e5e02-92a6-4410-a0ea-47084d17f7cb |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols > Gingerdiols |
| IUPAC Name | (3R,5S)-1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-diol |
| SMILES (Canonical) | CCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O |
| SMILES (Isomeric) | CCCCCCCCC[C@@H](C[C@@H](CCC1=CC(=C(C=C1)O)OC)O)O |
| InChI | InChI=1S/C21H36O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18-19,22-24H,3-11,13,16H2,1-2H3/t18-,19+/m0/s1 |
| InChI Key | LGSIUDXMEDKEPY-RBUKOAKNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O4 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 5.10 |
| 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 | 98.46% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.95% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.12% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.77% | 95.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.93% | 92.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 93.59% | 93.31% |
| CHEMBL240 | Q12809 | HERG | 91.80% | 89.76% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.77% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.47% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.98% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.00% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.88% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.25% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.57% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.45% | 95.89% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.40% | 97.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.38% | 92.88% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 81.22% | 100.00% |
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.
To see more specific details click the taxa you are interested in.
| Zingiber officinale |
| PubChem | 154497723 |
| LOTUS | LTS0258322 |
| wikiData | Q105151566 |