5-Hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-7-yl]oxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
| Internal ID | 3668a002-3703-4650-975a-ca51840ddd2c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 5-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-7-yl]oxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H58O29/c1-17-33(59)39(65)43(69)51(75-17)73-15-29-35(61)41(67)45(71)53(80-29)82-49-37(63)31-25(57)11-23(13-27(31)78-47(49)19-3-7-21(55)8-4-19)77-24-12-26(58)32-28(14-24)79-48(20-5-9-22(56)10-6-20)50(38(32)64)83-54-46(72)42(68)36(62)30(81-54)16-74-52-44(70)40(66)34(60)18(2)76-52/h3-14,17-18,29-30,33-36,39-46,51-62,65-72H,15-16H2,1-2H3 |
| InChI Key | IDEAHSWPVAPDEN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C54H58O29 |
| Molecular Weight | 1171.00 g/mol |
| Exact Mass | 1170.30637581 g/mol |
| Topological Polar Surface Area (TPSA) | 459.00 Ų |
| XlogP | -1.50 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-7-yl]oxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/70208110-8780-11ee-863e-c76e63b569d1.jpg "2D Structure of 5-Hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-7-yl]oxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-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 | 99.07% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.40% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.13% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.42% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.36% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.45% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.38% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.13% | 95.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.88% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 92.21% | 95.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.42% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.02% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.70% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.62% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.10% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.86% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.52% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.07% | 98.35% |
| CHEMBL3194 | P02766 | Transthyretin | 83.41% | 90.71% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.25% | 97.36% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.83% | 93.65% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.25% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.00% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.68% | 90.71% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.58% | 80.33% |
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.
| Chimarrhis turbinata |
| PubChem | 162820189 |
| LOTUS | LTS0121443 |
| wikiData | Q104168667 |