Sterenin I
| Internal ID | e66ece46-bbdc-4f12-9908-efdf6de2b3c2 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | [4-[(3-acetyloxy-2-hydroxypropoxy)methyl]-3-hydroxy-5-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H32O10/c1-14(2)5-6-20-23(36-26(33)24-15(3)7-18(29)9-22(24)31)8-17(10-27)21(25(20)32)13-34-11-19(30)12-35-16(4)28/h5,7-9,19,27,29-32H,6,10-13H2,1-4H3 |
| InChI Key | MPUDXKXLMMLLDZ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H32O10 |
| Molecular Weight | 504.50 g/mol |
| Exact Mass | 504.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.74% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.54% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.31% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.27% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.84% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.54% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.12% | 96.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.91% | 93.10% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.30% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.06% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.42% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.55% | 91.71% |
| CHEMBL3194 | P02766 | Transthyretin | 86.34% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.98% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.90% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.84% | 96.12% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.33% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.73% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.79% | 95.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.73% | 97.29% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.04% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.85% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 139587057 |
| LOTUS | LTS0124487 |
| wikiData | Q77520463 |