1,8a-dimethyl-7-propan-2-yl-7,8-dihydro-1H-naphthalene-2,6-dione
| Internal ID | 117d2351-0c3f-47f0-a262-7069c7af169a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | 1,8a-dimethyl-7-propan-2-yl-7,8-dihydro-1H-naphthalene-2,6-dione |
| SMILES (Canonical) | CC1C(=O)C=CC2=CC(=O)C(CC12C)C(C)C |
| SMILES (Isomeric) | CC1C(=O)C=CC2=CC(=O)C(CC12C)C(C)C |
| InChI | InChI=1S/C15H20O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h5-7,9-10,12H,8H2,1-4H3 |
| InChI Key | FYXFSGBBRSADTL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.52% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.96% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.17% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.42% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.63% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.96% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.44% | 90.71% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.96% | 86.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.52% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.01% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.46% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.91% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.36% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.99% | 82.69% |
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.
| Pleodendron costaricense |
| PubChem | 73123482 |
| LOTUS | LTS0192996 |
| wikiData | Q105004778 |