8-Hydroxy-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
| Internal ID | 997ccbe1-bc88-4f23-afe4-c16dac525df9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 8-hydroxy-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CC1CC2=C(C=CC(=C2C(=O)O1)O)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | CC1CC2=C(C=CC(=C2C(=O)O1)O)OC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C16H20O9/c1-6-4-7-9(3-2-8(18)11(7)15(22)23-6)24-16-14(21)13(20)12(19)10(5-17)25-16/h2-3,6,10,12-14,16-21H,4-5H2,1H3 |
| InChI Key | KJUZOFSYQLKULW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O9 |
| Molecular Weight | 356.32 g/mol |
| Exact Mass | 356.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-hydroxy-3-methyl-5-345-trihydroxy-6-hydroxymethyloxan-2-yloxy-34-dihydroisochromen-1-one.jpg "2D Structure of 8-Hydroxy-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one")
| 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 | 98.17% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.80% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.28% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.18% | 95.56% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.49% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.79% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.50% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.40% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.69% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.98% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.37% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.93% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.82% | 96.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.86% | 90.00% |
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.
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| There are no matching plants. |
| PubChem | 162972971 |
| LOTUS | LTS0128499 |
| wikiData | Q104170341 |