Homoeriodictyol 7-O-rutinoside
| Internal ID | 024d3102-2ee7-4f7c-91c8-59af98dc56f3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O)O |
| InChI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-7,10,16,19,21-30,32-37H,8-9H2,1-2H3/t10-,16-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| InChI Key | APSNPMVGBGZYAJ-GBWQQRHQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O15 |
| Molecular Weight | 610.60 g/mol |
| Exact Mass | 610.18977037 g/mol |
| Topological Polar Surface Area (TPSA) | 234.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
| 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 | 99.70% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.83% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.66% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.62% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.37% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.58% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.41% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.56% | 90.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.43% | 97.36% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.15% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.04% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.48% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.22% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.55% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.17% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.08% | 99.23% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.60% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.45% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.44% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.19% | 94.80% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.09% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.42% | 90.71% |
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.
| Artemisia capillaris |
| PubChem | 21721944 |
| LOTUS | LTS0164895 |
| wikiData | Q104916518 |