2-[2-Hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 88f20ddd-4c12-4414-9d12-320591dca3c1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-[2-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1=C(C(CC(C1O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O |
| SMILES (Isomeric) | CC1=C(C(CC(C1O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O |
| InChI | InChI=1S/C19H34O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h9,12-18,20-25H,5-8H2,1-4H3 |
| InChI Key | QYRQYBHQCMVSQX-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 | -0.90 |
| There are no found synonyms. |
![2D Structure of 2-[2-Hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/caf97730-880a-11ee-8aa2-c97fbebb811f.jpg "2D Structure of 2-[2-Hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.00% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.58% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.44% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.91% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.06% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.25% | 97.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.25% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.46% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.21% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.59% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.27% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.23% | 96.47% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.99% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.27% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.17% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.45% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.32% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.26% | 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.
| Staphylea ternata |
| PubChem | 85414131 |
| LOTUS | LTS0137212 |
| wikiData | Q105230384 |