2-[4-(1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 6db37e8d-6de4-4fa2-ae1f-e342371da9cb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-[4-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1CC(CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O |
| SMILES (Isomeric) | CC1CC(CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O |
| InChI | InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3 |
| InChI Key | MRPDHXXPDCVBPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H34O8 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | -0.30 |
| 2-[4-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
![2D Structure of 2-[4-(1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-14-dihydroxy-226-trimethylcyclohexylbut-3-en-2-yloxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[4-(1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.46% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.76% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.02% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.59% | 95.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.75% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.72% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.69% | 92.86% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.58% | 96.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.17% | 96.61% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.65% | 92.32% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.71% | 95.83% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.66% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.78% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.71% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.79% | 100.00% |
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.
| Alangium platanifolium |
| Alangium premnifolium |
| Breynia vitis-idaea |
| Elaeocarpus japonicus |
| Laurus nobilis |
| Sedum sarmentosum |
| Staphylea ternata |
| PubChem | 73319510 |
| LOTUS | LTS0199389 |
| wikiData | Q27215487 |