[(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 0603d75c-c0b8-4545-a863-962ca7d2b106 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C=CC5=CC=C(C=C5)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)O |
| InChI | InChI=1S/C30H26O14/c1-12-23(37)28(43-21(36)7-4-13-2-5-15(31)6-3-13)26(40)30(41-12)44-29-25(39)22-17(33)10-16(32)11-20(22)42-27(29)14-8-18(34)24(38)19(35)9-14/h2-12,23,26,28,30-35,37-38,40H,1H3/b7-4+/t12-,23-,26+,28+,30-/m0/s1 |
| InChI Key | RYSFCGVNLBFFTE-MADGDFKXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H26O14 |
| Molecular Weight | 610.50 g/mol |
| Exact Mass | 610.13225550 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/df9560c0-86a3-11ee-b68f-8ff421b1b5ca.jpg "2D Structure of [(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-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 | 99.81% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 99.19% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.81% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.47% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 96.91% | 95.64% |
| CHEMBL3194 | P02766 | Transthyretin | 96.91% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.47% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.02% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.61% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.71% | 96.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.39% | 97.36% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.31% | 96.09% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 85.14% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.71% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.56% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.51% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.77% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.57% | 95.89% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.37% | 92.51% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.20% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.06% | 94.45% |
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.
| Diospyros japonica |
| PubChem | 10077468 |
| LOTUS | LTS0223813 |
| wikiData | Q105248074 |