2-[4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,3,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | b169d262-006d-4ff8-8302-5aaf19e23f65 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-[4-hydroxy-4-(3-hydroxybut-1-enyl)-3,3,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1CC(CC(C1(C=CC(C)O)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | CC1CC(CC(C1(C=CC(C)O)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C19H34O8/c1-10-7-12(8-18(3,4)19(10,25)6-5-11(2)21)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 | KAZMSBSNWWWNPL-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 |
| There are no found synonyms. |
![2D Structure of 2-[4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,3,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/621344e0-865f-11ee-ac61-fb55239b1f2f.jpg "2D Structure of 2-[4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,3,5-trimethylcyclohexyl]oxy-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 | 99.06% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.81% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.17% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.80% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.98% | 92.86% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.83% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.63% | 97.79% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 86.36% | 92.32% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.12% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.87% | 95.93% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.84% | 96.21% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.69% | 86.92% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.74% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.01% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.47% | 90.08% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.37% | 96.61% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.87% | 91.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.56% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.32% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.16% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.13% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.09% | 95.50% |
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 premnifolium |
| Beaumontia grandiflora |
| Croton cascarilloides |
| Laurus nobilis |
| Staphylea ternata |
| PubChem | 73089503 |
| LOTUS | LTS0206169 |
| wikiData | Q105138053 |