3-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
| Internal ID | 10907ac4-34ad-4948-8fc8-511978b2fa2c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 3-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H40O20/c1-45-13-6-15(37)20-17(7-13)49-26(12-3-4-14(36)16(5-12)46-2)27(23(20)40)52-31-28(53-32-29(43)33(44,10-35)11-48-32)22(39)19(51-31)9-47-30-25(42)24(41)21(38)18(8-34)50-30/h3-7,18-19,21-22,24-25,28-32,34-39,41-44H,8-11H2,1-2H3 |
| InChI Key | KVSUVYZMSXVWNS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H40O20 |
| Molecular Weight | 756.70 g/mol |
| Exact Mass | 756.21129366 g/mol |
| Topological Polar Surface Area (TPSA) | 302.00 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
![2D Structure of 3-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/b8aa82c0-8531-11ee-ada7-bb6cdd313265.jpg "2D Structure of 3-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-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 | 99.67% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 98.19% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.36% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.46% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.26% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.81% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.10% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.59% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.29% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.41% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 92.39% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.94% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.18% | 86.92% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.19% | 97.36% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.81% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.66% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.91% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.89% | 92.94% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.09% | 94.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.84% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.67% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.51% | 95.89% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.48% | 95.53% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.06% | 95.83% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.60% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.53% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.05% | 92.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.03% | 93.18% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.82% | 97.28% |
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.
| Retama sphaerocarpa |
| PubChem | 74978396 |
| LOTUS | LTS0071653 |
| wikiData | Q105146702 |