[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-but-2-enoate
| Internal ID | 8832add6-03b6-440d-956d-2c40854531ea |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-but-2-enoate |
| SMILES (Canonical) | CC=CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)O)O)O |
| SMILES (Isomeric) | C/C=C/C(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)O)O)O |
| InChI | InChI=1S/C26H26O12/c1-3-4-21(30)35-11-20-23(31)24(32)25(33)26(38-20)36-13-8-15(28)22-16(29)10-17(37-19(22)9-13)12-5-6-14(27)18(7-12)34-2/h3-10,20,23-28,31-33H,11H2,1-2H3/b4-3+/t20-,23+,24+,25+,26-/m1/s1 |
| InChI Key | OAZSPRBLFZZMMR-SMFJXRKLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26O12 |
| Molecular Weight | 530.50 g/mol |
| Exact Mass | 530.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-but-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/430c05c0-859d-11ee-a77e-8d4dddff2754.jpg "2D Structure of [(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-but-2-enoate")
| 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 | 99.04% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.48% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.98% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.36% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.98% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.75% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 92.41% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.30% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.00% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.50% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.49% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.30% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.21% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.48% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.84% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.95% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.21% | 88.48% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.16% | 93.31% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.11% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.45% | 96.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.03% | 95.64% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.87% | 95.78% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.43% | 97.36% |
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.
| Cinnamomum subavenium |
| Thermopsis alterniflora |
| PubChem | 94855606 |
| LOTUS | LTS0136455 |
| wikiData | Q105312063 |