(2,4a-Dihydroxy-2,5-dimethyl-8-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl) acetate
| Internal ID | 1a925e9c-9ceb-4107-97ba-9c4f0cd1a1a6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2,4a-dihydroxy-2,5-dimethyl-8-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl) acetate |
| SMILES (Canonical) | CC1CCC(C2C1(CCC(C2OC(=O)C)(C)O)O)C(C)C |
| SMILES (Isomeric) | CC1CCC(C2C1(CCC(C2OC(=O)C)(C)O)O)C(C)C |
| InChI | InChI=1S/C17H30O4/c1-10(2)13-7-6-11(3)17(20)9-8-16(5,19)15(14(13)17)21-12(4)18/h10-11,13-15,19-20H,6-9H2,1-5H3 |
| InChI Key | FNTLZZCGECJXCR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H30O4 |
| Molecular Weight | 298.40 g/mol |
| Exact Mass | 298.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.70 |
| 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 | 94.50% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.97% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.69% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.24% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.21% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.85% | 95.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.40% | 91.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.67% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.54% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.85% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.32% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.94% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.85% | 94.80% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.56% | 96.61% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.01% | 91.07% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.88% | 94.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.77% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.59% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.36% | 89.50% |
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.
| Chamaecyparis obtusa |
| PubChem | 85378378 |
| LOTUS | LTS0132092 |
| wikiData | Q104998509 |