6-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
| Internal ID | f8972e18-cbbf-4113-8995-6ee9d4473445 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
| IUPAC Name | 6-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C(=C2C(=O)C=C(OC2=C1O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O |
| SMILES (Isomeric) | COC1=C(C(=C2C(=O)C=C(OC2=C1O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O |
| InChI | InChI=1S/C27H30O15/c1-38-21-16(18(33)15-12(31)6-13(40-22(15)20(21)35)10-2-4-11(30)5-3-10)23-24(19(34)17(32)14(7-28)41-23)42-26-25(36)27(37,8-29)9-39-26/h2-6,14,17,19,23-26,28-30,32-37H,7-9H2,1H3 |
| InChI Key | ZWDZHRULMLSHPW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O15 |
| Molecular Weight | 594.50 g/mol |
| Exact Mass | 594.15847025 g/mol |
| Topological Polar Surface Area (TPSA) | 245.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 6-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/d25552a0-8520-11ee-a088-055aca4ccd3e.jpg "2D Structure of 6-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,8-dihydroxy-2-(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 | 99.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.67% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.47% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.61% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.35% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.73% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.16% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.05% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.40% | 97.28% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.38% | 86.92% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.16% | 95.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.95% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.48% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.87% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.77% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.25% | 95.83% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.82% | 99.15% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.91% | 83.57% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.74% | 96.69% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.38% | 98.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.55% | 94.73% |
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.
| Abrus precatorius |
| PubChem | 163034501 |
| LOTUS | LTS0146040 |
| wikiData | Q105384846 |