(2S,3S,4S,5S,6R)-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 3907b4c7-e8d8-46f9-9649-d0a2fbb77941 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | (2S,3S,4S,5S,6R)-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=CC(=C2C=C(C(=[O+]C2=C1)C3=CC(=C(C(=C3)OC)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=CC(=C2C=C(C(=[O+]C2=C1)C3=CC(=C(C(=C3)OC)O)OC)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChI | InChI=1S/C24H26O12/c1-31-11-6-13(26)12-8-17(35-24-22(30)21(29)20(28)18(9-25)36-24)23(34-14(12)7-11)10-4-15(32-2)19(27)16(5-10)33-3/h4-8,18,20-22,24-25,28-30H,9H2,1-3H3,(H-,26,27)/p+1/t18-,20-,21+,22+,24-/m1/s1 |
| InChI Key | HOQYXINLVDTZAR-VILWBRSESA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C24H27O12+ |
| Molecular Weight | 507.50 g/mol |
| Exact Mass | 507.15025129 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2S,3S,4S,5S,6R)-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/08d2dbc0-857d-11ee-85ac-75e2633495a6.jpg "2D Structure of (2S,3S,4S,5S,6R)-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 98.74% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.35% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.72% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.96% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.27% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.22% | 99.17% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.04% | 97.36% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.63% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.05% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.83% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.55% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.13% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.20% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.86% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.54% | 86.92% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.24% | 92.68% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.00% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.72% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.12% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.34% | 89.62% |
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.
| Catharanthus roseus |
| PubChem | 163185291 |
| LOTUS | LTS0055951 |
| wikiData | Q105031486 |