2-(1,3-Benzodioxol-5-yl)-6-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxychromen-4-one
| Internal ID | 6302e306-5348-4070-a591-493dedf8768d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-6-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxychromen-4-one |
| SMILES (Canonical) | C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)OC(=C(C4=O)O)C5=CC6=C(C=C5)OCO6)O)O)O)O)(CO)O |
| SMILES (Isomeric) | C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)OC(=C(C4=O)O)C5=CC6=C(C=C5)OCO6)O)O)O)O)(CO)O |
| InChI | InChI=1S/C27H28O15/c28-8-27(35)9-37-26(24(27)34)36-7-17-19(30)20(31)22(33)25(42-17)40-12-2-4-14-13(6-12)18(29)21(32)23(41-14)11-1-3-15-16(5-11)39-10-38-15/h1-6,17,19-20,22,24-26,28,30-35H,7-10H2 |
| InChI Key | FQQDLIRCCQNQKG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H28O15 |
| Molecular Weight | 592.50 g/mol |
| Exact Mass | 592.14282018 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of 2-(1,3-Benzodioxol-5-yl)-6-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/f9027bb0-854a-11ee-9089-6119c66df507.jpg "2D Structure of 2-(1,3-Benzodioxol-5-yl)-6-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxychromen-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 | 99.89% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.82% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.64% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.80% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.64% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.82% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.29% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.18% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.91% | 99.15% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.90% | 83.57% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.67% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.15% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.97% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.51% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.81% | 97.36% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.80% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.02% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.67% | 96.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.67% | 96.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 83.16% | 96.69% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.05% | 95.53% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.94% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.91% | 94.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.71% | 92.94% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.69% | 95.78% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.65% | 95.71% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.44% | 94.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.26% | 90.71% |
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.
| Cyclopia intermedia |
| PubChem | 163023822 |
| LOTUS | LTS0121804 |
| wikiData | Q104999783 |