[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxy-3-methoxybenzoate
| Internal ID | 3091befd-927d-4dfd-8e2c-c0ac65a36557 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides |
| IUPAC Name | [2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxy-3-methoxybenzoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O |
| InChI | InChI=1S/C29H26O13/c1-39-20-8-13(4-7-15(20)32)29(38)42-28-25(37)24(36)21(11-30)41-27(28)23-17(34)9-16(33)22-18(35)10-19(40-26(22)23)12-2-5-14(31)6-3-12/h2-10,21,24-25,27-28,30-34,36-37H,11H2,1H3 |
| InChI Key | QMQSMTIVSXVODH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H26O13 |
| Molecular Weight | 582.50 g/mol |
| Exact Mass | 582.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxy-3-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/125d6910-85f7-11ee-aabf-557287a0ce6d.jpg "2D Structure of [2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxy-3-methoxybenzoate")
| 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 | 98.68% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.89% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.09% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.67% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.51% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.01% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 93.86% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.03% | 96.21% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 90.67% | 89.23% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.64% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.61% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.32% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.00% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.87% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.71% | 97.28% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.68% | 95.83% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.79% | 97.14% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 83.14% | 97.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.43% | 91.19% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.24% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.83% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.41% | 90.00% |
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.
| Trollius ledebourii |
| PubChem | 74977460 |
| LOTUS | LTS0147687 |
| wikiData | Q105224126 |