[4,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl] 2-methylbutanoate
| Internal ID | fd196bfd-e8d0-4987-be99-18a18bbdc92b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides |
| IUPAC Name | [4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C(C(C(OC1C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)OC)CO)O)O |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C(C(C(OC1C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)OC)CO)O)O |
| InChI | InChI=1S/C27H30O11/c1-4-12(2)27(34)38-26-23(33)22(32)19(11-28)37-25(26)21-18(35-3)10-16(31)20-15(30)9-17(36-24(20)21)13-5-7-14(29)8-6-13/h5-10,12,19,22-23,25-26,28-29,31-33H,4,11H2,1-3H3 |
| InChI Key | NMPAISVEPHNOCP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O11 |
| Molecular Weight | 530.50 g/mol |
| Exact Mass | 530.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [4,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/f5131620-8586-11ee-b313-b5d9769be08a.jpg "2D Structure of [4,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl] 2-methylbutanoate")
| 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 | 98.79% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.22% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.96% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.60% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.49% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.58% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.54% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.33% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.59% | 86.92% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.38% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.83% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.26% | 96.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.40% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.14% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.12% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.06% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.69% | 97.09% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 82.90% | 89.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.41% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 82.26% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.67% | 97.28% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.17% | 96.00% |
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 | 73803370 |
| LOTUS | LTS0107453 |
| wikiData | Q105181901 |