2-(3,4-dihydroxy-5-methoxyphenyl)-6,8-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Internal ID | 359da316-8442-49a0-ab10-6a6cb034e9f0 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxy-5-methoxyphenyl)-6,8-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(O2)C(=CC(=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(O2)C(=CC(=C3)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O |
| InChI | InChI=1S/C22H22O13/c1-32-12-3-7(2-10(25)15(12)28)19-21(14(27)9-4-8(24)5-11(26)20(9)34-19)35-22-18(31)17(30)16(29)13(6-23)33-22/h2-5,13,16-18,22-26,28-31H,6H2,1H3/t13-,16-,17+,18-,22+/m0/s1 |
| InChI Key | NZTVYPOHQKVOBF-CRFWSCARSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O13 |
| Molecular Weight | 494.40 g/mol |
| Exact Mass | 494.10604075 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-dihydroxy-5-methoxyphenyl)-6,8-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/b4e38830-874f-11ee-b82a-778a69b79fac.jpg "2D Structure of 2-(3,4-dihydroxy-5-methoxyphenyl)-6,8-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 | 99.63% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.74% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.04% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.29% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.61% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.01% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.74% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.37% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.77% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.42% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.92% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.31% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.06% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.33% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.60% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.58% | 96.21% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.47% | 97.36% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.13% | 94.45% |
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.
| Larix sibirica |
| PubChem | 162846202 |
| LOTUS | LTS0069620 |
| wikiData | Q105188443 |