7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]
| Internal ID | c77f29da-3950-405d-ace6-a8177421a340 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 4-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one |
| SMILES (Canonical) | CC1=CC(=O)CC(C1(CCC(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C |
| SMILES (Isomeric) | CC1=CC(=O)CC(C1(CCC(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C |
| InChI | InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13,15-21,25,27-32H,5-6,8-11H2,1-4H3 |
| InChI Key | VXZUZURNJDKPBW-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C24H40O12 |
| Molecular Weight | 520.60 g/mol |
| Exact Mass | 520.25197671 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | -2.60 |
| CHEBI:168244 |
| 4-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one |
![2D Structure of 7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]](https://plantaedb.com/storage/docs/compounds/2023/11/78-dihydrovomifoliol-9-apiosyl-1-6-glucoside.jpg "2D Structure of 7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]")
| 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 |
|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 98.92% | 83.57% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.87% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.82% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.94% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.76% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.84% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.03% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 92.84% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.68% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.46% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.47% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.81% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.57% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.40% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.69% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.54% | 93.18% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.46% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.41% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.96% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.75% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.65% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.30% | 94.73% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.51% | 95.71% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.07% | 97.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.85% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.52% | 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.
| Casearia sylvestris |
| Cydonia oblonga |
| PubChem | 74929277 |
| LOTUS | LTS0221769 |
| wikiData | Q105298855 |