7-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyxanthen-9-one
| Internal ID | 9aca7b3a-1505-430d-a6c2-78d1aa3f3618 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyxanthen-9-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C3)OC5=CC=CC(=C5C4=O)O)CO)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C3)OC5=CC=CC(=C5C4=O)O)CO)O)O)O)O)O |
| InChI | InChI=1S/C25H28O13/c1-9-17(28)20(31)22(33)24(34-9)38-23-21(32)19(30)15(8-26)37-25(23)35-10-5-6-13-11(7-10)18(29)16-12(27)3-2-4-14(16)36-13/h2-7,9,15,17,19-28,30-33H,8H2,1H3 |
| InChI Key | SACUUGUGVGKUPL-UHFFFAOYSA-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) | 205.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 7-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/efb98820-859f-11ee-8040-1b39361d456e.jpg "2D Structure of 7-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyxanthen-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.53% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.39% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.39% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.39% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.27% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.95% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.96% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.84% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.63% | 97.36% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.17% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.12% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.93% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.91% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.72% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.70% | 92.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.31% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.61% | 86.92% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.89% | 97.33% |
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.
| Polygala caudata |
| PubChem | 85192475 |
| LOTUS | LTS0248655 |
| wikiData | Q105248776 |