7-Hydroxy-3-methoxy-1-[(6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-9H-xanthen-9-one
| Internal ID | 205292f8-4eff-4677-b702-de894f206e60 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 7-hydroxy-3-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O14/c1-34-10-5-14-17(18(28)11-4-9(26)2-3-13(11)37-14)15(6-10)38-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)12(27)7-35-24/h2-6,12,16,19-27,29-33H,7-8H2,1H3/t12-,16-,19+,20-,21+,22-,23-,24+,25-/m1/s1 |
| InChI Key | MWZPGBNWDUPMFG-SKOZIGNLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H28O14 |
| Molecular Weight | 552.50 g/mol |
| Exact Mass | 552.14790556 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | -1.70 |
| 7-Hydroxy-3-methoxy-9-oxo-9H-xanthen-1-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside |
| 7-Hydroxy-3-methoxy-1-[(6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-9H-xanthen-9-one |
| 85754-76-3 |
![2D Structure of 7-Hydroxy-3-methoxy-1-[(6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-9H-xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-hydroxy-3-methoxy-1-6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyloxy-9h-xanthen-9-one.jpg "2D Structure of 7-Hydroxy-3-methoxy-1-[(6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-9H-xanthen-9-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 | 99.45% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.77% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.47% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.28% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.88% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.05% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.57% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.64% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.44% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.28% | 89.62% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.99% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.38% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.90% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.07% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.45% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.21% | 95.83% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.62% | 97.36% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.02% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.26% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.15% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.97% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.36% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.28% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.02% | 93.99% |
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.
| Gentiana lutea |
| PubChem | 163189838 |
| LOTUS | LTS0132246 |
| wikiData | Q105173915 |