1,4-Dimethoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyxanthen-9-one
| Internal ID | 33f3625c-a7ca-40e0-8701-dcc00f6b6796 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,4-dimethoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyxanthen-9-one |
| SMILES (Canonical) | COC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3O2)OC)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O |
| SMILES (Isomeric) | COC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3O2)OC)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O |
| InChI | InChI=1S/C26H30O14/c1-34-13-7-14(23(35-2)24-16(13)17(28)10-5-3-4-6-12(10)38-24)39-26-22(33)20(31)19(30)15(40-26)9-37-25-21(32)18(29)11(27)8-36-25/h3-7,11,15,18-22,25-27,29-33H,8-9H2,1-2H3 |
| InChI Key | TXFBBBDTBBYKLF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H30O14 |
| Molecular Weight | 566.50 g/mol |
| Exact Mass | 566.16355563 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | -1.30 |
| There are no found synonyms. |
![2D Structure of 1,4-Dimethoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/14-dimethoxy-3-345-trihydroxy-6-345-trihydroxyoxan-2-yloxymethyloxan-2-yloxyxanthen-9-one.jpg "2D Structure of 1,4-Dimethoxy-3-[3,4,5-trihydroxy-6-[(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 | 99.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.21% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.66% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.91% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.70% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.48% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.25% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.62% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.22% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.04% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.47% | 98.75% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.34% | 95.83% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.19% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.58% | 96.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 84.69% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.39% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.31% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.13% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.93% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.53% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.69% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.21% | 94.45% |
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.
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| There are no matching plants. |
| PubChem | 78137856 |
| LOTUS | LTS0062201 |
| wikiData | Q104197911 |