6'''-Feruloylspinosin
Internal ID | adec1dfd-c51d-486a-b46d-1144831e03d2 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
IUPAC Name | [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3C4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)CO)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3C4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)CO)O)O)O)O)O)O |
InChI | InChI=1S/C38H40O18/c1-50-22-11-16(3-9-19(22)41)4-10-27(43)52-15-26-31(45)33(47)35(49)38(55-26)56-37-34(48)30(44)25(14-39)54-36(37)29-23(51-2)13-24-28(32(29)46)20(42)12-21(53-24)17-5-7-18(40)8-6-17/h3-13,25-26,30-31,33-41,44-49H,14-15H2,1-2H3/b10-4+/t25-,26-,30-,31-,33+,34+,35-,36+,37-,38+/m1/s1 |
InChI Key | WZAXZHIVHPRTIU-IHIXZLSHSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C38H40O18 |
Molecular Weight | 784.70 g/mol |
Exact Mass | 784.22146442 g/mol |
Topological Polar Surface Area (TPSA) | 281.00 Ų |
XlogP | 0.70 |
6'''-Feruloylspinosin |
6-Feruloylspinosin |
6?-Feruloylspinosin |
6''-Feruloylspinosin |
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
6'''- Feruloylspinosin |
Feruloylspinosin, 6'''- |
HY-N2160 |
AKOS037514914 |
AC-33988 |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 99.86% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.40% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.40% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.02% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 95.83% | 98.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.66% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 95.29% | 90.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.62% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.71% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.12% | 99.17% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.76% | 96.21% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.70% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.63% | 97.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.03% | 94.73% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.98% | 99.15% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.28% | 95.50% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.83% | 96.09% |
CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 82.92% | 97.03% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.40% | 94.45% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.62% | 92.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.48% | 95.89% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.40% | 95.83% |
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.
Ziziphus jujuba |
Ziziphus jujuba var. spinosa |
PubChem | 21597353 |
NPASS | NPC135561 |
LOTUS | LTS0255913 |
wikiData | Q104399565 |