Kaempferide triglycoside
Internal ID | b286e7de-cd86-46ef-989f-14d8b32ea5a1 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C34H42O20/c1-11-20(38)24(42)27(45)32(49-11)48-10-18-22(40)26(44)31(54-33-28(46)25(43)21(39)17(9-35)51-33)34(52-18)53-30-23(41)19-15(37)7-13(36)8-16(19)50-29(30)12-3-5-14(47-2)6-4-12/h3-8,11,17-18,20-22,24-28,31-40,42-46H,9-10H2,1-2H3/t11-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32+,33-,34-/m0/s1 |
InChI Key | DYZZIAIGKSRPMS-JYTSTOSVSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C34H42O20 |
Molecular Weight | 770.70 g/mol |
Exact Mass | 770.22694372 g/mol |
Topological Polar Surface Area (TPSA) | 313.00 Ų |
XlogP | -2.20 |
Kaempferide 3-O-beta-D-glucopyranosyl-(1->2)-O-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside |
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% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.29% | 94.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 96.93% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.54% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.34% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.07% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.00% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.49% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.38% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.79% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.55% | 94.73% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.85% | 97.36% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.42% | 90.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.30% | 85.14% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.13% | 96.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.03% | 97.09% |
CHEMBL1907 | P15144 | Aminopeptidase N | 83.17% | 93.31% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.80% | 95.64% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.70% | 95.89% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.76% | 81.11% |
CHEMBL3194 | P02766 | Transthyretin | 80.01% | 90.71% |
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.
Dianthus caryophyllus |
PubChem | 10818979 |
LOTUS | LTS0126336 |
wikiData | Q76416016 |