[6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | ff528767-364e-41d5-8fee-65e61b164482 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [6-[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)OC(=O)C=CC7=CC=C(C=C7)O)O)O)O)OC(=O)C=CC8=CC=C(C=C8)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)OC(=O)C=CC7=CC=C(C=C7)O)O)O)O)OC(=O)C=CC8=CC=C(C=C8)O)O)O)O |
| InChI | InChI=1S/C51H52O23/c1-22-37(59)39(61)41(63)49(67-22)66-21-33-46(72-35(58)18-8-25-5-13-28(53)14-6-25)43(65)48(74-50-42(64)40(62)44(23(2)68-50)71-34(57)17-7-24-3-11-27(52)12-4-24)51(70-33)73-47-38(60)36-31(56)19-30(55)20-32(36)69-45(47)26-9-15-29(54)16-10-26/h3-20,22-23,33,37,39-44,46,48-56,59,61-65H,21H2,1-2H3 |
| InChI Key | VHDYGKCMNQFOEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C51H52O23 |
| Molecular Weight | 1032.90 g/mol |
| Exact Mass | 1032.28993790 g/mol |
| Topological Polar Surface Area (TPSA) | 357.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3fce58f0-85fc-11ee-94b5-a3ad1841e9f7.jpg "2D Structure of [6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] 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 | 99.56% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 99.14% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.30% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.26% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.83% | 98.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.91% | 95.64% |
| CHEMBL3194 | P02766 | Transthyretin | 94.59% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.68% | 94.73% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.19% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.01% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.42% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.02% | 96.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.16% | 97.36% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.37% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.21% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.38% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.95% | 95.78% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.98% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.94% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.01% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.25% | 91.71% |
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.
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| There are no matching plants. |
| PubChem | 73802533 |
| LOTUS | LTS0079941 |
| wikiData | Q105286337 |