Evolvoside E
| Internal ID | e1a3dff1-6bc3-40a5-9e5a-fd2f3bfd3ab6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 2-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3-hydroxy-5,7-dimethoxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)C4=C(C(=O)C5=C(O4)C=C(C=C5OC)OC)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)C4=C(C(=O)C5=C(O4)C=C(C=C5OC)OC)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O |
| InChI | InChI=1S/C35H44O20/c1-12-21(37)27(43)32(55-34-30(46)25(41)22(38)18(10-36)53-34)35(50-12)49-11-19-23(39)26(42)29(45)33(54-19)51-14-6-4-13(5-7-14)31-28(44)24(40)20-16(48-3)8-15(47-2)9-17(20)52-31/h4-9,12,18-19,21-23,25-27,29-30,32-39,41-46H,10-11H2,1-3H3/t12-,18+,19+,21-,22+,23+,25-,26-,27+,29+,30+,32+,33+,34-,35+/m0/s1 |
| InChI Key | HRMACLKTDXQZNB-VFCYDLCPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H44O20 |
| Molecular Weight | 784.70 g/mol |
| Exact Mass | 784.24259379 g/mol |
| Topological Polar Surface Area (TPSA) | 302.00 Ų |
| XlogP | -2.40 |
| CHEMBL2336774 |
| 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 | 99.77% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.81% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.94% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.45% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 95.37% | 97.36% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.15% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.72% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.93% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.20% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.46% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.86% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.84% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.73% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.47% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.02% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.17% | 95.89% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.05% | 81.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.83% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.92% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.05% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.64% | 92.62% |
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.
| Evolvulus alsinoides |
| PubChem | 71524830 |
| LOTUS | LTS0217804 |
| wikiData | Q105032727 |