8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one
| Internal ID | 29c49af5-56fa-428e-ab88-7785e757c405 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid C-glycosides |
| IUPAC Name | 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C2=C(C(=C1)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C(=C1)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| InChI | InChI=1S/C28H32O15/c1-39-14-6-13(32)17-19(33)12(10-2-4-11(31)5-3-10)9-40-25(17)18(14)26-27(23(37)21(35)15(7-29)41-26)43-28-24(38)22(36)20(34)16(8-30)42-28/h2-6,9,15-16,20-24,26-32,34-38H,7-8H2,1H3 |
| InChI Key | CPLWDDQAAJRIPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O15 |
| Molecular Weight | 608.50 g/mol |
| Exact Mass | 608.17412031 g/mol |
| Topological Polar Surface Area (TPSA) | 245.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of 8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/53b5b620-85ff-11ee-9577-31feace2ddcc.jpg "2D Structure of 8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.16% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.26% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.97% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.11% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.56% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.35% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.06% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.66% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.25% | 86.92% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.40% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.32% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.10% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.91% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.58% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.17% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.97% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.40% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.81% | 95.78% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.37% | 95.83% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.15% | 95.89% |
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.
| Ziziphus jujuba |
| PubChem | 163016248 |
| LOTUS | LTS0102437 |
| wikiData | Q104967637 |