1-(2,4a,8-Trihydroxy-2,5,5,8a-tetramethyl-1,3,4,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-3-en-2-one
| Internal ID | 28e64e08-3d4d-4604-abd7-fa7dd580e12c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha,beta-unsaturated ketones > Alpha-branched alpha,beta-unsaturated ketones |
| IUPAC Name | 1-(2,4a,8-trihydroxy-2,5,5,8a-tetramethyl-1,3,4,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-3-en-2-one |
| SMILES (Canonical) | CC=C(C)C(=O)CC1C(CCC2(C1(C(CCC2(C)C)O)C)O)(C)O |
| SMILES (Isomeric) | CC=C(C)C(=O)CC1C(CCC2(C1(C(CCC2(C)C)O)C)O)(C)O |
| InChI | InChI=1S/C20H34O4/c1-7-13(2)14(21)12-15-18(5,23)10-11-20(24)17(3,4)9-8-16(22)19(15,20)6/h7,15-16,22-24H,8-12H2,1-6H3 |
| InChI Key | WPMWSYYVAMDDNR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O4 |
| Molecular Weight | 338.50 g/mol |
| Exact Mass | 338.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 2.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 93.15% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.67% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.27% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.79% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.02% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.86% | 95.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.51% | 97.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.75% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.54% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.93% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.51% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.08% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.04% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.00% | 95.50% |
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.
| Scapania undulata |
| PubChem | 162889639 |
| LOTUS | LTS0073363 |
| wikiData | Q105310065 |