1-Ethoxy-2,5-dimethyl-8-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalene-2,4a-diol
| Internal ID | eb7e33ae-64b5-4ce7-8e94-81d1d4715a3c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 1-ethoxy-2,5-dimethyl-8-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalene-2,4a-diol |
| SMILES (Canonical) | CCOC1C2C(CCC(C2(CCC1(C)O)O)C)C(C)C |
| SMILES (Isomeric) | CCOC1C2C(CCC(C2(CCC1(C)O)O)C)C(C)C |
| InChI | InChI=1S/C17H32O3/c1-6-20-15-14-13(11(2)3)8-7-12(4)17(14,19)10-9-16(15,5)18/h11-15,18-19H,6-10H2,1-5H3 |
| InChI Key | MQOGRIRJXIYHKV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H32O3 |
| Molecular Weight | 284.40 g/mol |
| Exact Mass | 284.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
| 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% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.08% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.94% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.89% | 94.75% |
| CHEMBL240 | Q12809 | HERG | 86.88% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.98% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.59% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.53% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.04% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.71% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.58% | 94.45% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.66% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.50% | 91.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.95% | 91.11% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.79% | 90.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.13% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.59% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.55% | 96.38% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.48% | 92.86% |
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.
| Chamaecyparis obtusa |
| PubChem | 85409276 |
| LOTUS | LTS0093720 |
| wikiData | Q105170139 |