[(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxotetradecan-5-yl] acetate
Internal ID | 12b678e8-915f-4f6f-a184-19fe819c853c |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
IUPAC Name | [(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxotetradecan-5-yl] acetate |
SMILES (Canonical) | CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OC(=O)C |
SMILES (Isomeric) | CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)OC(=O)C |
InChI | InChI=1S/C23H36O5/c1-4-5-6-7-8-9-10-11-21(28-18(2)24)17-20(25)14-12-19-13-15-22(26)23(16-19)27-3/h13,15-16,21,26H,4-12,14,17H2,1-3H3/t21-/m0/s1 |
InChI Key | ZAWZPQOLCZXQLU-NRFANRHFSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H36O5 |
Molecular Weight | 392.50 g/mol |
Exact Mass | 392.25627424 g/mol |
Topological Polar Surface Area (TPSA) | 72.80 Ų |
XlogP | 5.80 |
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 | 98.72% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.57% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.20% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.78% | 94.45% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.22% | 95.17% |
CHEMBL240 | Q12809 | HERG | 95.18% | 89.76% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.97% | 92.08% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.15% | 100.00% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.07% | 97.21% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.08% | 86.33% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 87.71% | 90.20% |
CHEMBL1907 | P15144 | Aminopeptidase N | 83.77% | 93.31% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.04% | 94.73% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.99% | 95.50% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.88% | 90.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.49% | 96.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.13% | 96.95% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.13% | 93.56% |
CHEMBL2535 | P11166 | Glucose transporter | 82.08% | 98.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.10% | 95.56% |
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 | 101776104 |
LOTUS | LTS0251304 |
wikiData | Q105370287 |