[4-Hydroxy-1,4-bis[5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]butyl] acetate
| Internal ID | ba4ce121-37c2-4d80-912b-3ec41f7c0814 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [4-hydroxy-1,4-bis[5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]butyl] acetate |
| SMILES (Canonical) | CC(=CCCC(C)(C1CCC(O1)(C)C(CCC(C2(CCC(O2)C(C)(CCC=C(C)C)O)C)OC(=O)C)O)O)C |
| SMILES (Isomeric) | CC(=CCCC(C)(C1CCC(O1)(C)C(CCC(C2(CCC(O2)C(C)(CCC=C(C)C)O)C)OC(=O)C)O)O)C |
| InChI | InChI=1S/C32H56O7/c1-22(2)12-10-18-29(6,35)26-16-20-31(8,38-26)25(34)14-15-28(37-24(5)33)32(9)21-17-27(39-32)30(7,36)19-11-13-23(3)4/h12-13,25-28,34-36H,10-11,14-21H2,1-9H3 |
| InChI Key | OWELNYSCYCAGMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H56O7 |
| Molecular Weight | 552.80 g/mol |
| Exact Mass | 552.40260412 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [4-Hydroxy-1,4-bis[5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]butyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-14-bis5-2-hydroxy-6-methylhept-5-en-2-yl-2-methyloxolan-2-ylbutyl-acetate.jpg "2D Structure of [4-Hydroxy-1,4-bis[5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]butyl] acetate")
| 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 | 97.93% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.81% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.95% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.46% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.13% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.86% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.18% | 97.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.14% | 91.19% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.05% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.65% | 92.62% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.53% | 98.75% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.91% | 95.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.27% | 91.07% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.69% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.48% | 93.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.30% | 96.77% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.11% | 89.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.10% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.01% | 95.89% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.92% | 85.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.60% | 97.14% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.53% | 92.88% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.37% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.05% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.88% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.44% | 89.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.71% | 97.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.65% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.52% | 82.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.42% | 97.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.33% | 98.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.23% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.22% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.13% | 89.05% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.00% | 98.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.50% | 96.90% |
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.
| Eurycoma longifolia |
| PubChem | 73100923 |
| LOTUS | LTS0185912 |
| wikiData | Q105201955 |