[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | 9e4e73ee-f432-400c-b5d7-3a7f9977b7bc |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2C3=C(C=CC4=C3OC(=CC4=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)CO)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2C3=C(C=CC4=C3OC(=CC4=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)CO)O)O)O |
InChI | InChI=1S/C36H36O16/c37-14-24-29(44)31(46)35(52-26(42)12-3-16-1-6-18(39)7-2-16)34(49-24)27-22(50-36-32(47)30(45)28(43)25(15-38)51-36)11-10-20-21(41)13-23(48-33(20)27)17-4-8-19(40)9-5-17/h1-13,24-25,28-32,34-40,43-47H,14-15H2 |
InChI Key | UUNFACZNDXIDIZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H36O16 |
Molecular Weight | 724.70 g/mol |
Exact Mass | 724.20033506 g/mol |
Topological Polar Surface Area (TPSA) | 262.00 Ų |
XlogP | 0.50 |
There are no found synonyms. |
![2D Structure of [4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate 2D Structure of [4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/7ae4fae0-8553-11ee-8680-c1f05d8a7bc4.jpg)
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 | 97.39% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 97.20% | 98.95% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 96.94% | 83.57% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.59% | 86.33% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 94.39% | 98.35% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.16% | 99.17% |
CHEMBL3194 | P02766 | Transthyretin | 92.59% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.90% | 95.56% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.70% | 91.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.57% | 96.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.65% | 91.49% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.42% | 86.92% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.21% | 95.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.10% | 97.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.76% | 96.21% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.84% | 97.28% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.08% | 94.45% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.62% | 95.78% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.58% | 95.89% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.35% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.57% | 94.00% |
CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.47% | 88.00% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.44% | 92.50% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.34% | 99.15% |
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.
Glinus oppositifolius |
PubChem | 162911908 |
LOTUS | LTS0177736 |
wikiData | Q105279462 |