2,3,5-Trimethoxy-1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
| Internal ID | 21cb61bd-739e-4780-a3ec-b1ff69350c83 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 2,3,5-trimethoxy-1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one |
| SMILES (Canonical) | COC1=CC=CC2=C1OC3=CC(=C(C(=C3C2=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC)OC |
| SMILES (Isomeric) | COC1=CC=CC2=C1OC3=CC(=C(C(=C3C2=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC)OC |
| InChI | InChI=1S/C28H34O16/c1-37-11-6-4-5-10-17(30)16-12(41-24(10)11)7-13(38-2)25(39-3)26(16)44-28-23(36)21(34)19(32)15(43-28)9-40-27-22(35)20(33)18(31)14(8-29)42-27/h4-7,14-15,18-23,27-29,31-36H,8-9H2,1-3H3 |
| InChI Key | OQGAMLATFWOIDP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O16 |
| Molecular Weight | 626.60 g/mol |
| Exact Mass | 626.18468499 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 2,3,5-Trimethoxy-1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/4d6c13f0-859a-11ee-aa8d-89fea6406bad.jpg "2D Structure of 2,3,5-Trimethoxy-1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 | 98.72% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 97.80% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.83% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.61% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.60% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.87% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.63% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.62% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.45% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.22% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.37% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.86% | 99.23% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.64% | 94.03% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.77% | 95.83% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.76% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.09% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.77% | 92.62% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.57% | 92.98% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.43% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.27% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.78% | 95.89% |
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.
| Halenia corniculata |
| Halenia elata |
| Halenia elliptica |
| PubChem | 162847336 |
| LOTUS | LTS0191797 |
| wikiData | Q105196776 |