1-[(1S,3aS,4R,7S,7aR)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
| Internal ID | f5e13328-9039-443b-a723-6ab1a1497889 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 1-[(1S,3aS,4R,7S,7aR)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone |
| SMILES (Canonical) | CC(C)C1CCC(C2C1C(CC2)C(=O)C)(C)O |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@@]([C@@H]2[C@@H]1[C@H](CC2)C(=O)C)(C)O |
| InChI | InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3/t11-,12+,13-,14-,15+/m0/s1 |
| InChI Key | WLXJHVQYKOJBBN-AIEDFZFUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 1-[(1S,3aS,4R,7S,7aR)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/6be0b640-859d-11ee-ae14-d93a59982736.jpg "2D Structure of 1-[(1S,3aS,4R,7S,7aR)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone")
| 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 | 97.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.88% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.24% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.75% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.07% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.61% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.37% | 91.11% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.35% | 95.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.31% | 93.04% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.70% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.05% | 94.75% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 82.18% | 95.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.54% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.43% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.74% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.36% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.23% | 98.95% |
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.
| Santolina chamaecyparissus |
| PubChem | 162972359 |
| LOTUS | LTS0070618 |
| wikiData | Q105308321 |