(3S)-5-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
| Internal ID | 5ae945a9-3780-4178-be76-081d04bee427 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | (3S)-5-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H40O20/c1-12-23(41)26(44)28(46)32(50-12)54-31-27(45)24(42)19(11-49-21(40)10-34(2,47)9-20(38)39)52-33(31)53-30-25(43)22-16(37)7-14(35)8-18(22)51-29(30)13-4-5-15(36)17(6-13)48-3/h4-8,12,19,23-24,26-28,31-33,35-37,41-42,44-47H,9-11H2,1-3H3,(H,38,39)/t12-,19+,23-,24+,26-,27-,28+,31+,32-,33-,34-/m0/s1 |
| InChI Key | JXTIZVSLTAYLLT-LFFIDDEZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H40O20 |
| Molecular Weight | 768.70 g/mol |
| Exact Mass | 768.21129366 g/mol |
| Topological Polar Surface Area (TPSA) | 318.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of (3S)-5-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2a368600-8633-11ee-9956-bfdc787b1337.jpg "2D Structure of (3S)-5-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid")
| 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 | 99.42% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.11% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.87% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.55% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.47% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.75% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.12% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.83% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.76% | 97.36% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.71% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.13% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.29% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.07% | 95.64% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.85% | 91.49% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.49% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 85.60% | 90.71% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.03% | 80.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.64% | 99.23% |
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.
| Oxytropis racemosa |
| PubChem | 162887581 |
| LOTUS | LTS0081693 |
| wikiData | Q105136782 |