Margaritene
| Internal ID | 2487f2b5-c079-45ba-b916-18454a832afb |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides |
| IUPAC Name | 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3 |
| InChI Key | AOXGLIJSZLOQNZ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C28H32O14 |
| Molecular Weight | 592.50 g/mol |
| Exact Mass | 592.17920569 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -0.60 |
| NCGC00384927-01!8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one |
| 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 | 99.60% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.37% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.00% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.51% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.74% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.07% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.06% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.42% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.76% | 89.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.78% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.76% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.09% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.89% | 85.14% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.17% | 81.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.12% | 97.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.05% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.15% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.06% | 90.00% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 81.35% | 91.73% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 80.98% | 89.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.88% | 95.89% |
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.
| Citrus japonica |
| Piper aduncum |
| PubChem | 45360149 |
| LOTUS | LTS0046158 |
| wikiData | Q104916021 |