8-hydroxy-6-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyxanthen-9-one
| Internal ID | 8f22e98c-f5c4-4ca8-9e78-cbe5445b8f31 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 8-hydroxy-6-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyxanthen-9-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)OC4=CC(=CC(=C4C3=O)O)OC)OC5C(C(C(C(O5)CO)O)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C3=C(C=C2)OC4=CC(=CC(=C4C3=O)O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O |
| InChI | InChI=1S/C26H30O15/c1-8-17(29)20(32)22(34)25(37-8)39-12-4-3-11-16(19(31)15-10(28)5-9(36-2)6-13(15)38-11)24(12)41-26-23(35)21(33)18(30)14(7-27)40-26/h3-6,8,14,17-18,20-23,25-30,32-35H,7H2,1-2H3/t8-,14+,17-,18+,20+,21-,22+,23+,25-,26-/m0/s1 |
| InChI Key | HWWPEIMHGPFLAK-PZHXEPITSA-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) | 234.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 8-hydroxy-6-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/709a3b10-8580-11ee-922f-d35cb1660612.jpg "2D Structure of 8-hydroxy-6-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyxanthen-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 | 97.99% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.12% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.16% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.11% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.79% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.91% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.53% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.46% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.36% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.07% | 99.15% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.49% | 97.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.44% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.41% | 86.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.01% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.28% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.38% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.05% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 81.50% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.16% | 96.00% |
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 | 71745330 |
| LOTUS | LTS0069236 |
| wikiData | Q105034856 |