[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4-dimethoxybenzoate
| Internal ID | b300c29e-6639-442f-83f9-0748da529a33 |
| 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] 3,4-dimethoxybenzoate |
| SMILES (Canonical) | COC1=C(C=C(C=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)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=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)OC |
| InChI | InChI=1S/C30H28O13/c1-39-19-8-5-14(9-21(19)40-2)30(38)43-29-26(37)25(36)22(12-31)42-28(29)24-17(34)10-16(33)23-18(35)11-20(41-27(23)24)13-3-6-15(32)7-4-13/h3-11,22,25-26,28-29,31-34,36-37H,12H2,1-2H3 |
| InChI Key | MRJNVGUJHUWETF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O13 |
| Molecular Weight | 596.50 g/mol |
| Exact Mass | 596.15299094 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | 2.40 |
| 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] 3,4-dimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/88fce280-8599-11ee-a7c2-93bc06eaa7cd.jpg "2D Structure of [2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4-dimethoxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.54% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.14% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.09% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.68% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.27% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.71% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.36% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 92.77% | 90.71% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 91.77% | 89.23% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.10% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.93% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.70% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.71% | 97.28% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.24% | 95.83% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.07% | 96.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.16% | 95.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.13% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.03% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.29% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.66% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.65% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.18% | 95.56% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 80.60% | 97.03% |
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 | 73803374 |
| LOTUS | LTS0035800 |
| wikiData | Q105170637 |