2-(3-(1-(2-(1,2-Dimethylpropyl)-2-methylcyclopropyl)ethyl)-2-(2-hydroxyethyl)-2-methylcyclopentyl)-6-hydroxy-8a-methyl-3,5,6,7,8,8a-hexahydro-1(2H)-naphthalenone
| Internal ID | 64a05afc-ed4e-4f2e-bc35-192194f0f0ea |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 6-hydroxy-2-[2-(2-hydroxyethyl)-2-methyl-3-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]cyclopentyl]-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O3/c1-18(2)20(4)30(7)17-26(30)19(3)24-10-11-25(29(24,6)14-15-31)23-9-8-21-16-22(32)12-13-28(21,5)27(23)33/h8,18-20,22-26,31-32H,9-17H2,1-7H3 |
| InChI Key | HEVOJXUNAUSRIF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 6.70 |
| 2-[3-[1-[2-(1,2-dimethylpropyl)-2-methyl-cyclopropyl]ethyl]-2-(2-hydroxyethyl)-2-methyl-cyclopentyl]-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one |
| 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 | 97.51% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.44% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.86% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.19% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.93% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.90% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.39% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.22% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.36% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.37% | 90.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.86% | 98.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.96% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.31% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.24% | 93.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.08% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.94% | 96.61% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.64% | 93.04% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.47% | 89.34% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.92% | 98.46% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.46% | 89.05% |
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.
| There are no matching plants. |
| PubChem | 500264 |
| LOTUS | LTS0003078 |
| wikiData | Q105027069 |