7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
| Internal ID | 2fb04052-261d-4453-8a2f-cb7e2ecdcbeb |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H22O11/c1-9-18(25)20(27)21(28)23(33-9)34-15-5-11-14(6-13(15)24)30-7-12(19(11)26)10-3-16(29-2)22-17(4-10)31-8-32-22/h3-7,9,18,20-21,23-25,27-28H,8H2,1-2H3/t9-,18-,20+,21-,23-/m0/s1 |
| InChI Key | PYLIKGWSQOZMEX-CZDXPKECSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H22O11 |
| Molecular Weight | 474.40 g/mol |
| Exact Mass | 474.11621151 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/b761cd60-85f9-11ee-808f-7510a3e9ccd0.jpg "2D Structure of 7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-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 | 99.47% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.45% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.22% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.14% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.75% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 94.70% | 82.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.73% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.86% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.53% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.16% | 92.62% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.39% | 97.36% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 88.98% | 92.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.79% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.36% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.08% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.78% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.37% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.98% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.25% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.78% | 96.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.98% | 97.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.33% | 99.17% |
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 | 163045569 |
| LOTUS | LTS0240169 |
| wikiData | Q105216638 |