7-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxychromen-4-one
| Internal ID | e63729d4-bc7a-4ecb-ab38-6d79870c7cc7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)C=COC4=C3)O)CO)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)C=COC4=C3)O)CO)O)O)O)O)O |
| InChI | InChI=1S/C21H26O13/c1-7-14(25)16(27)18(29)20(31-7)34-19-17(28)15(26)12(6-22)33-21(19)32-8-4-10(24)13-9(23)2-3-30-11(13)5-8/h2-5,7,12,14-22,24-29H,6H2,1H3 |
| InChI Key | MNBSBRMQJLTPNQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O13 |
| Molecular Weight | 486.40 g/mol |
| Exact Mass | 486.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | -1.50 |
| 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-5-hydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2e1982e0-8614-11ee-96ce-cd9fc3374ad1.jpg "2D Structure of 7-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxychromen-4-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 | 99.90% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.86% | 89.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.00% | 97.36% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.08% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.33% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.08% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.58% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.27% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.81% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.64% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.67% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.36% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.79% | 86.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.67% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.50% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.84% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.48% | 95.83% |
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.
| Ailanthus integrifolia |
| PubChem | 162953789 |
| LOTUS | LTS0060863 |
| wikiData | Q105168261 |