5-hydroxy-3,6,7-trimethoxy-2-[3-methoxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
| Internal ID | 99bb22ae-2b6f-4ff5-b2a9-e2390e4b2fb1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 5-hydroxy-3,6,7-trimethoxy-2-[3-methoxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChI | InChI=1S/C25H28O13/c1-32-12-7-10(5-6-11(12)37-25-21(31)20(30)17(27)15(9-26)38-25)22-24(35-4)19(29)16-13(36-22)8-14(33-2)23(34-3)18(16)28/h5-8,15,17,20-21,25-28,30-31H,9H2,1-4H3/t15-,17-,20-,21-,25-/m1/s1 |
| InChI Key | RHTMFBCTQXIHQT-IHRWDPNUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O13 |
| Molecular Weight | 536.50 g/mol |
| Exact Mass | 536.15299094 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-3,6,7-trimethoxy-2-[3-methoxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8e8ef820-8764-11ee-831d-c766a403e040.jpg "2D Structure of 5-hydroxy-3,6,7-trimethoxy-2-[3-methoxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.11% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.94% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.68% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.11% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.10% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.04% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.19% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.30% | 99.17% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.08% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.11% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.96% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.88% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.51% | 96.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.66% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.77% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.15% | 95.64% |
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.
| Chrysosplenium tetrandrum |
| Stylotrichium rotundifolium |
| PubChem | 162935288 |
| LOTUS | LTS0124072 |
| wikiData | Q105307933 |