2-[(8-hydroxy-5,7-dimethyl-3-pentyl-3,4-dihydro-1H-isochromen-6-yl)oxy]-6-methyloxane-3,4,5-triol
| Internal ID | a7c88045-2770-4269-b71d-c1519a644b0f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-[(8-hydroxy-5,7-dimethyl-3-pentyl-3,4-dihydro-1H-isochromen-6-yl)oxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CCCCCC1CC2=C(C(=C(C(=C2CO1)O)C)OC3C(C(C(C(O3)C)O)O)O)C |
| SMILES (Isomeric) | CCCCCC1CC2=C(C(=C(C(=C2CO1)O)C)OC3C(C(C(C(O3)C)O)O)O)C |
| InChI | InChI=1S/C22H34O7/c1-5-6-7-8-14-9-15-11(2)21(12(3)17(23)16(15)10-27-14)29-22-20(26)19(25)18(24)13(4)28-22/h13-14,18-20,22-26H,5-10H2,1-4H3 |
| InChI Key | QTGDWRXXCISJSC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O7 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 2-[(8-hydroxy-5,7-dimethyl-3-pentyl-3,4-dihydro-1H-isochromen-6-yl)oxy]-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-8-hydroxy-57-dimethyl-3-pentyl-34-dihydro-1h-isochromen-6-yloxy-6-methyloxane-345-triol.jpg "2D Structure of 2-[(8-hydroxy-5,7-dimethyl-3-pentyl-3,4-dihydro-1H-isochromen-6-yl)oxy]-6-methyloxane-3,4,5-triol")
| 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 | 98.02% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.89% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.49% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.44% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.07% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.89% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.80% | 89.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.80% | 90.24% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.53% | 91.49% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.87% | 97.36% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.74% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.66% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.53% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.99% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.96% | 94.73% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 82.95% | 80.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.76% | 91.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.33% | 82.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.07% | 90.71% |
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 | 163065738 |
| LOTUS | LTS0190392 |
| wikiData | Q104196175 |