[(2S,3S,4R,5S,6R)-6-[[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | 360b6578-3291-4c6e-be67-f77901117126 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | [(2S,3S,4R,5S,6R)-6-[[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)COC6C(C(C(C(O6)C)OC(=O)C=CC7=CC=C(C=C7)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO[C@H]6[C@H]([C@H]([C@H]([C@@H](O6)C)OC(=O)/C=C/C7=CC=C(C=C7)O)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C48H56O26/c1-17-30(55)34(59)37(62)46(66-17)74-44-36(61)32(57)27(70-48(44)73-42-33(58)29-24(53)13-23(52)14-25(29)68-41(42)20-6-10-22(51)11-7-20)16-65-45-39(64)43(72-47-38(63)35(60)31(56)26(15-49)69-47)40(18(2)67-45)71-28(54)12-5-19-3-8-21(50)9-4-19/h3-14,17-18,26-27,30-32,34-40,43-53,55-57,59-64H,15-16H2,1-2H3/b12-5+/t17-,18-,26+,27-,30-,31+,32-,34+,35-,36-,37-,38-,39-,40-,43+,44+,45+,46-,47-,48-/m0/s1 |
InChI Key | IOVOORGRGZVFMK-HNSWWQLASA-N |
Popularity | 0 references in papers |
Molecular Formula | C48H56O26 |
Molecular Weight | 1048.90 g/mol |
Exact Mass | 1048.30598189 g/mol |
Topological Polar Surface Area (TPSA) | 410.00 Ų |
XlogP | -1.30 |
There are no found synonyms. |
![2D Structure of [(2S,3S,4R,5S,6R)-6-[[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 2D Structure of [(2S,3S,4R,5S,6R)-6-[[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b6360590-860b-11ee-bcbd-31d8eccd2dba.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 | 99.74% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 99.10% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.16% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.89% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 96.81% | 98.95% |
CHEMBL3194 | P02766 | Transthyretin | 94.24% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.21% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.77% | 96.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.48% | 94.73% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.68% | 95.64% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.81% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.31% | 96.09% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 89.88% | 98.35% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.08% | 86.92% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.13% | 97.36% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.19% | 94.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.06% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.79% | 97.09% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.83% | 94.80% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.98% | 95.78% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.58% | 94.45% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.44% | 95.89% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.58% | 80.78% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.37% | 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.
To see more specific details click the taxa you are interested in.
Lysimachia capillipes |
PubChem | 162858051 |
LOTUS | LTS0037418 |
wikiData | Q105116936 |