4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-2H-naphthalen-1-one
| Internal ID | 64e387a0-c876-4479-8bbd-60318c8a1b9e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-2H-naphthalen-1-one |
| SMILES (Canonical) | CC(C)C1CCC2(CCCC(=C)C2C1=O)C |
| SMILES (Isomeric) | CC(C)C1CCC2(CCCC(=C)C2C1=O)C |
| InChI | InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-13H,3,5-9H2,1-2,4H3 |
| InChI Key | TYQALBNCJWAILN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O |
| Molecular Weight | 220.35 g/mol |
| Exact Mass | 220.182715385 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 4.20 |
| 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 | 96.59% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.61% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.72% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.55% | 94.45% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.44% | 98.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.51% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.59% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.46% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.70% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.57% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.15% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.13% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.06% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.98% | 93.04% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.85% | 90.08% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.60% | 99.18% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.45% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.03% | 93.03% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.34% | 94.78% |
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.
| Acorus calamus |
| Chloranthus serratus |
| PubChem | 12444761 |
| LOTUS | LTS0080817 |
| wikiData | Q105267669 |