(3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one
| Internal ID | c383dfcc-8932-4f9b-92f0-8a4689471202 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | [(1R,2S,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,8-dihydro-1H-naphthalen-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22O3/c1-10(2)14-9-17(5)11(3)16(20-12(4)18)7-6-13(17)8-15(14)19/h6-8,11,16H,9H2,1-5H3/t11-,16-,17+/m0/s1 |
| InChI Key | FJZBAGIMAUDSAO-MZPVMMEZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H22O3 |
| Molecular Weight | 274.35 g/mol |
| Exact Mass | 274.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.30 |
| (3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one |
| [(1R,2S,8Ar)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,8-dihydro-1H-naphthalen-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.64% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.67% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.16% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.80% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.03% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.20% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.91% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.89% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.45% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.94% | 85.30% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.53% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.05% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 16104919 |
| LOTUS | LTS0114523 |
| wikiData | Q77382695 |