[4,5-Dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | cb0eee30-307b-4778-b444-917f4c69a8ed |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-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)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O)O)O)O |
InChI | InChI=1S/C42H46O22/c1-16-28(48)31(51)34(54)40(58-16)57-15-25-38(63-26(47)11-4-17-2-7-19(44)8-3-17)33(53)36(56)42(62-25)64-39-30(50)27-22(46)12-21(59-41-35(55)32(52)29(49)24(14-43)61-41)13-23(27)60-37(39)18-5-9-20(45)10-6-18/h2-13,16,24-25,28-29,31-36,38,40-46,48-49,51-56H,14-15H2,1H3 |
InChI Key | YUDSUZANKRPJIV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C42H46O22 |
Molecular Weight | 902.80 g/mol |
Exact Mass | 902.24807309 g/mol |
Topological Polar Surface Area (TPSA) | 351.00 Ų |
XlogP | -0.40 |
There are no found synonyms. |
![2D Structure of [4,5-Dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate 2D Structure of [4,5-Dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1e06dfe0-86ba-11ee-97f2-a1bd41440141.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 | 99.64% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.84% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.80% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.99% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.27% | 94.73% |
CHEMBL3194 | P02766 | Transthyretin | 93.08% | 90.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.54% | 97.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.09% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.03% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.49% | 96.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.41% | 86.92% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 90.48% | 98.35% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.31% | 95.56% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.85% | 95.64% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.31% | 94.80% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.19% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.43% | 94.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.59% | 97.36% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.36% | 95.78% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.60% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.50% | 90.00% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.61% | 91.71% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.41% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.67% | 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.
Strychnos variabilis |
PubChem | 73189157 |
LOTUS | LTS0067571 |
wikiData | Q105362707 |