2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
| Internal ID | 27c47ac0-ccd6-4dbf-91da-6dcd62e1f75b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3OC)O)O)C4=CC(=C(C(=C4)OC)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3OC)O)O)C4=CC(=C(C(=C4)OC)O)O)O)O)O |
| InChI | InChI=1S/C23H24O13/c1-7-14(27)17(30)18(31)23(34-7)36-22-16(29)13-9(24)6-11(26)20(33-3)21(13)35-19(22)8-4-10(25)15(28)12(5-8)32-2/h4-7,14,17-18,23-28,30-31H,1-3H3/t7-,14-,17+,18-,23-/m0/s1 |
| InChI Key | SLKYVXNLSZNUTP-ASOCEJAQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O13 |
| Molecular Weight | 508.40 g/mol |
| Exact Mass | 508.12169082 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/e61d1910-85c2-11ee-92c9-37cf15b6eab1.jpg "2D Structure of 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(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 | 99.54% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.96% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.87% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.52% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.51% | 85.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.04% | 97.36% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.57% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.91% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.39% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.71% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.64% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.53% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 84.43% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.90% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.41% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.88% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.63% | 94.42% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.67% | 92.62% |
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.
| Erica verticillata |
| PubChem | 162932023 |
| LOTUS | LTS0028503 |
| wikiData | Q105255397 |