1-Hydroxy-2,6-dimethoxy-8-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-9H-xanthen-9-one
| Internal ID | e43d4238-831c-4e8b-a324-4dc4ac635449 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1-hydroxy-2,6-dimethoxy-8-[(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) | COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)OC)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O |
| InChI | InChI=1S/C26H30O15/c1-35-9-5-13-16(21(31)17-11(39-13)3-4-12(36-2)19(17)29)14(6-9)40-26-24(34)22(32)20(30)15(41-26)8-38-25-23(33)18(28)10(27)7-37-25/h3-6,10,15,18,20,22-30,32-34H,7-8H2,1-2H3/t10-,15-,18+,20-,22+,23-,24-,25+,26-/m1/s1 |
| InChI Key | NNYKTKDAAWADQG-HBSGFRINSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H30O15 |
| Molecular Weight | 582.50 g/mol |
| Exact Mass | 582.15847025 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | -1.10 |
| HY-N11512 |
| CS-0648475 |
| E80548 |
| 1-HYDROXY-2,6-DIMETHOXY-8-[(6-O-BETA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)OXY]-9H-XANTHEN-9-ONE |
| 60354-05-4 |
![2D Structure of 1-Hydroxy-2,6-dimethoxy-8-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-9H-xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-hydroxy-26-dimethoxy-8-6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyloxy-9h-xanthen-9-one.jpg "2D Structure of 1-Hydroxy-2,6-dimethoxy-8-[(6-O-beta-D-xylopyranosyl-beta-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 | 99.07% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.51% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.74% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.36% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.69% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.33% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.94% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.95% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.90% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.84% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.04% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.83% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.69% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.99% | 97.36% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.91% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.33% | 98.75% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.19% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.93% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.70% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.30% | 86.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.22% | 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.
| Swertia kouitchensis |
| PubChem | 72163130 |
| LOTUS | LTS0226127 |
| wikiData | Q105182387 |