[6-[4-(1,5-Dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)but-3-en-2-yloxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | 463c0c9f-4ff3-456f-997d-5933afbe26ae |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | [6-[4-(1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)but-3-en-2-yloxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H34O12/c1-12(4-5-18-25(2)8-14(27)9-26(18,3)36-11-25)37-24-22(33)21(32)20(31)17(38-24)10-35-23(34)13-6-15(28)19(30)16(29)7-13/h4-7,12,17-18,20-22,24,28-33H,8-11H2,1-3H3 |
| InChI Key | LQVNYRWMNGPIEB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H34O12 |
| Molecular Weight | 538.50 g/mol |
| Exact Mass | 538.20502652 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of [6-[4-(1,5-Dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)but-3-en-2-yloxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/bb0313c0-85eb-11ee-ad46-ff324a0fe359.jpg "2D Structure of [6-[4-(1,5-Dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)but-3-en-2-yloxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate")
| 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 | 99.82% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.09% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.66% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.63% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.54% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.19% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.77% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.81% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.37% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.43% | 99.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.01% | 83.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.76% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.65% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.12% | 97.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.35% | 95.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.21% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.88% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.83% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.70% | 95.56% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 82.35% | 80.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.14% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.73% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.36% | 95.89% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.15% | 80.00% |
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.
| Macaranga tanarius |
| PubChem | 162980275 |
| LOTUS | LTS0082639 |
| wikiData | Q105155887 |