[(2S,3S,4R)-2,3,4-trihydroxyicosyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | e426ea50-8ed8-40dc-bbd5-0e17b8e8914a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | [(2S,3S,4R)-2,3,4-trihydroxyicosyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)30(35)27(33)23-37-29(34)21-19-24-18-20-25(31)28(22-24)36-2/h18-22,26-27,30-33,35H,3-17,23H2,1-2H3/b21-19+/t26-,27+,30+/m1/s1 |
| InChI Key | DVPDGBVIQHVDNG-QPZFFLIESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H50O7 |
| Molecular Weight | 522.70 g/mol |
| Exact Mass | 522.35565393 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4R)-2,3,4-trihydroxyicosyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s4r-234-trihydroxyicosyl-e-3-4-hydroxy-3-methoxyphenylprop-2-enoate.jpg "2D Structure of [(2S,3S,4R)-2,3,4-trihydroxyicosyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.72% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.21% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.16% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.10% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.61% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.43% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.80% | 92.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.15% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 88.00% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.52% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.91% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.76% | 89.62% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.43% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.72% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.66% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.60% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.14% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.03% | 93.31% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.96% | 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.
| Commiphora wightii |
| PubChem | 101390174 |
| LOTUS | LTS0084863 |
| wikiData | Q104888474 |