6-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-methoxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one
| Internal ID | 8f2e5e5e-99c6-4e4a-b3ce-79d702f50bd0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-methoxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O9/c1-11-4-3-5-13(28-11)8-14-6-12-7-15(9-16(27-2)18(12)21(26)29-14)30-22-20(25)19(24)17(10-23)31-22/h7,9,11,13-14,17,19-20,22-25H,3-6,8,10H2,1-2H3 |
| InChI Key | YWXLVYJTSKDZPJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O9 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.18898253 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 6-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-methoxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/b1345bb0-858d-11ee-b694-a9dc2b5324f7.jpg "2D Structure of 6-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-methoxy-3-[(6-methyloxan-2-yl)methyl]-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 | 97.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.03% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.19% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.93% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.54% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.85% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.72% | 85.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.20% | 96.21% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.20% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.10% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.00% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.59% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.29% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.18% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.82% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.65% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.42% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.30% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.99% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.72% | 92.94% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.36% | 94.80% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.25% | 93.18% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.88% | 99.18% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.07% | 92.50% |
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 | 163041885 |
| LOTUS | LTS0043374 |
| wikiData | Q104202161 |