6-[4-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
| Internal ID | eb6cc9fd-854e-4886-8105-a536d9890f0e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
| IUPAC Name | 6-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)OC5C(C(CO5)(CO)O)O)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)OC5C(C(CO5)(CO)O)O)O)O |
| InChI | InChI=1S/C27H30O14/c1-37-12-4-2-11(3-5-12)15-6-13(30)18-16(39-15)7-14(31)19(21(18)33)23-22(34)24(20(32)17(8-28)40-23)41-26-25(35)27(36,9-29)10-38-26/h2-7,17,20,22-26,28-29,31-36H,8-10H2,1H3 |
| InChI Key | YDMXOIDNIPFRHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O14 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.16355563 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 6-[4-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/6f2335e0-8622-11ee-878e-9b0f2dc45e21.jpg "2D Structure of 6-[4-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-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 | 99.86% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 98.07% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.32% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.02% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.63% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.14% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.93% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.22% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.08% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.13% | 99.15% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.00% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.50% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.52% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.67% | 99.23% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.24% | 83.57% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.21% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.82% | 90.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.96% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.03% | 92.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.17% | 93.18% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.79% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.69% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.34% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.26% | 95.53% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.18% | 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.
| Anthurium versicolor |
| PubChem | 73809264 |
| LOTUS | LTS0132832 |
| wikiData | Q105346836 |