1,2,6-trihydroxy-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
| Internal ID | 2991e6e7-a93f-4630-a54c-3b912119268d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,2,6-trihydroxy-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) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=CC4=C3C(=O)C5=C(O4)C=CC(=C5O)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC4=C3C(=O)C5=C(O4)C=CC(=C5O)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C24H26O15/c25-7-3-11-14(19(31)15-10(37-11)2-1-8(26)16(15)28)12(4-7)38-24-22(34)20(32)18(30)13(39-24)6-36-23-21(33)17(29)9(27)5-35-23/h1-4,9,13,17-18,20-30,32-34H,5-6H2/t9-,13-,17+,18-,20+,21-,22-,23+,24-/m1/s1 |
| InChI Key | CDRZVFJOMWIKNR-PVZTWELTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O15 |
| Molecular Weight | 554.50 g/mol |
| Exact Mass | 554.12717012 g/mol |
| Topological Polar Surface Area (TPSA) | 245.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of 1,2,6-trihydroxy-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](https://plantaedb.com/storage/docs/compounds/2023/11/5fd41700-8344-11ee-aad3-29627eb24973.jpg "2D Structure of 1,2,6-trihydroxy-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")
| 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 | 99.73% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.92% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.39% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.74% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.77% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.91% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.47% | 97.09% |
| CHEMBL3194 | P02766 | Transthyretin | 89.31% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.26% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.81% | 99.15% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.54% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.28% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.44% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.16% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.92% | 96.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.50% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.11% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.93% | 95.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.62% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.26% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.45% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.23% | 86.92% |
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 perennis |
| PubChem | 163027181 |
| LOTUS | LTS0075764 |
| wikiData | Q104955115 |