[(3R,5S)-3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl] acetate
Internal ID | d94bf457-57dd-40be-a734-6d2574f65231 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
IUPAC Name | [(3R,5S)-3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl] acetate |
SMILES (Canonical) | CCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C |
SMILES (Isomeric) | CCCCCCC[C@@H](C[C@@H](CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C |
InChI | InChI=1S/C23H36O6/c1-5-6-7-8-9-10-20(28-17(2)24)16-21(29-18(3)25)13-11-19-12-14-22(26)23(15-19)27-4/h12,14-15,20-21,26H,5-11,13,16H2,1-4H3/t20-,21+/m0/s1 |
InChI Key | BUACOWOGXVQEBF-LEWJYISDSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H36O6 |
Molecular Weight | 408.50 g/mol |
Exact Mass | 408.25118886 g/mol |
Topological Polar Surface Area (TPSA) | 82.10 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 | 98.85% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.18% | 91.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.06% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.04% | 95.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.68% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.58% | 86.33% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.25% | 92.08% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.53% | 100.00% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 90.15% | 90.20% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.42% | 95.50% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.30% | 96.95% |
CHEMBL1907 | P15144 | Aminopeptidase N | 86.44% | 93.31% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.83% | 90.71% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.89% | 97.21% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.89% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.74% | 94.73% |
CHEMBL2535 | P11166 | Glucose transporter | 82.40% | 98.75% |
CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 81.77% | 100.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.51% | 93.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.78% | 96.00% |
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 | 154497724 |
LOTUS | LTS0084883 |
wikiData | Q104945982 |