[6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate
| Internal ID | 2c551389-bfb1-4831-b535-1e717e03b5ad |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | [6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate |
| SMILES (Canonical) | CC1=C2CC(CCC2(C(CC1)OC(=O)C)C)C(C)(C)O |
| SMILES (Isomeric) | CC1=C2CC(CCC2(C(CC1)OC(=O)C)C)C(C)(C)O |
| InChI | InChI=1S/C17H28O3/c1-11-6-7-15(20-12(2)18)17(5)9-8-13(10-14(11)17)16(3,4)19/h13,15,19H,6-10H2,1-5H3 |
| InChI Key | CILROEPKLJZUBU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H28O3 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6-2-hydroxypropan-2-yl-48a-dimethyl-235678-hexahydro-1h-naphthalen-1-yl-acetate.jpg "2D Structure of [6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-yl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.00% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.65% | 91.11% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 92.45% | 92.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.74% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.61% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.50% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.76% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.26% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 83.72% | 97.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.90% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.23% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.13% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.88% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.30% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.94% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.08% | 97.14% |
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.
| Cryptomeria japonica |
| PubChem | 163059532 |
| LOTUS | LTS0188743 |
| wikiData | Q104959945 |