[6-[4,10-Dihydroxy-3,9-dimethoxy-6,12-dioxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzo[c][1,5]benzodioxocin-2-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | 3245ef76-6bf3-435e-ae48-1106bc5aa67d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [6-[4,10-dihydroxy-3,9-dimethoxy-6,12-dioxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzo[c][1,5]benzodioxocin-2-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | COC1=C(C2=C(C=C1C3C(C(C(C(O3)CO)O)O)O)C(=O)OC4=C(C=C(C(=C4O)OC)C5C(C(C(C(O5)COC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)C(=O)O2)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1C3C(C(C(C(O3)CO)O)O)O)C(=O)OC4=C(C=C(C(=C4O)OC)C5C(C(C(C(O5)COC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)C(=O)O2)O |
| InChI | InChI=1S/C35H36O22/c1-51-27-10(29-23(44)21(42)19(40)16(7-36)54-29)5-12-31(25(27)46)56-35(50)13-6-11(28(52-2)26(47)32(13)57-34(12)49)30-24(45)22(43)20(41)17(55-30)8-53-33(48)9-3-14(37)18(39)15(38)4-9/h3-6,16-17,19-24,29-30,36-47H,7-8H2,1-2H3 |
| InChI Key | FNOFUPBPMSLAOK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H36O22 |
| Molecular Weight | 808.60 g/mol |
| Exact Mass | 808.16982277 g/mol |
| Topological Polar Surface Area (TPSA) | 359.00 Ų |
| XlogP | -2.30 |
| There are no found synonyms. |
![2D Structure of [6-[4,10-Dihydroxy-3,9-dimethoxy-6,12-dioxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzo[c][1,5]benzodioxocin-2-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/e2ee08f0-8714-11ee-9ae6-0f6f7fdb4962.jpg "2D Structure of [6-[4,10-Dihydroxy-3,9-dimethoxy-6,12-dioxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzo[c][1,5]benzodioxocin-2-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate")
| 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 | 99.46% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.92% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.64% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.49% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.03% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.35% | 94.73% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.80% | 83.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.30% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.85% | 89.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.32% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.92% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.61% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.15% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.44% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.03% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.20% | 97.09% |
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.
| Ardisia japonica |
| PubChem | 162954748 |
| LOTUS | LTS0175708 |
| wikiData | Q104998411 |