(4aS,7R)-7-(2-hydroxypropan-2-yl)-4a-methyl-5,6,7,8-tetrahydronaphthalen-2-one
| Internal ID | 5f43d4d9-f897-4fa8-829e-68a2d8c046c7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (4aS,7R)-7-(2-hydroxypropan-2-yl)-4a-methyl-5,6,7,8-tetrahydronaphthalen-2-one |
| SMILES (Canonical) | CC12CCC(CC1=CC(=O)C=C2)C(C)(C)O |
| SMILES (Isomeric) | C[C@@]12CC[C@H](CC1=CC(=O)C=C2)C(C)(C)O |
| InChI | InChI=1S/C14H20O2/c1-13(2,16)10-4-6-14(3)7-5-12(15)9-11(14)8-10/h5,7,9-10,16H,4,6,8H2,1-3H3/t10-,14+/m1/s1 |
| InChI Key | KFDQDHUQXSNVFJ-YGRLFVJLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.31 g/mol |
| Exact Mass | 220.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.10 |
| 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 | 96.23% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.17% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.29% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.70% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.22% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.50% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.68% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.21% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.66% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.87% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.69% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.99% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.10% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.98% | 94.75% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.88% | 92.51% |
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.
| Carissa spinarum |
| PubChem | 163104707 |
| LOTUS | LTS0221444 |
| wikiData | Q105140329 |