Sterenin K
| Internal ID | a73b034e-a82d-41fe-8f4f-4bc418621607 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters |
| IUPAC Name | 4-[5-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-6-(3-methylbut-2-enyl)-3-oxo-1H-isoindol-2-yl]butanoic acid |
| SMILES (Canonical) | CC1=CC(=CC(=C1C(=O)OC2=C(C(=C3CN(C(=O)C3=C2)CCCC(=O)O)O)CC=C(C)C)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1C(=O)OC2=C(C(=C3CN(C(=O)C3=C2)CCCC(=O)O)O)CC=C(C)C)O)O |
| InChI | InChI=1S/C25H27NO8/c1-13(2)6-7-16-20(34-25(33)22-14(3)9-15(27)10-19(22)28)11-17-18(23(16)31)12-26(24(17)32)8-4-5-21(29)30/h6,9-11,27-28,31H,4-5,7-8,12H2,1-3H3,(H,29,30) |
| InChI Key | SBMMCNVNQWPEAI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H27NO8 |
| Molecular Weight | 469.50 g/mol |
| Exact Mass | 469.17366682 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 4.00 |
| 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 | 98.61% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.37% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.87% | 93.40% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.99% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.01% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.18% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.74% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.87% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.37% | 97.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.94% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.67% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.30% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.21% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.71% | 96.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.54% | 82.38% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.14% | 85.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.66% | 91.71% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 83.62% | 98.00% |
| CHEMBL3194 | P02766 | Transthyretin | 82.21% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.67% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.13% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.83% | 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.
| There are no matching plants. |
| PubChem | 77461067 |
| LOTUS | LTS0238897 |
| wikiData | Q77369494 |