(4aR,5R,8R,8aS)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-1,4a,6,7,8,8a-hexahydronaphthalen-2-one
| Internal ID | c20db9c5-ee9e-4699-8180-1e9e27cb4c62 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (4aR,5R,8R,8aS)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-1,4a,6,7,8,8a-hexahydronaphthalen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24O2/c1-9(2)15(17)6-5-10(3)12-8-14(16)11(4)7-13(12)15/h7,9-10,12-13,17H,5-6,8H2,1-4H3/t10-,12+,13+,15-/m1/s1 |
| InChI Key | DPIHWKGKQBZIAZ-GVUJHPQVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.35 g/mol |
| Exact Mass | 236.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.80 |
| 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 | 95.05% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.78% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.83% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.64% | 97.25% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.31% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.78% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 90.66% | 86.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.44% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.45% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.82% | 93.04% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.20% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.65% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.21% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.95% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.36% | 90.71% |
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.
| Artemisia chamaemelifolia |
| PubChem | 101690796 |
| LOTUS | LTS0128204 |
| wikiData | Q104986521 |