[(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
| Internal ID | 5e0c4942-f7b0-4bd2-a4b9-e66a4f94cfb8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | [(1S,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-methylbutanoate |
| SMILES (Canonical) | CC(C)CC(=O)OC1CC2CCC1(C2(C)C)C |
| SMILES (Isomeric) | CC(C)CC(=O)O[C@@H]1CC2CC[C@]1(C2(C)C)C |
| InChI | InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11?,12-,15-/m1/s1 |
| InChI Key | MPYYVGIJHREDBO-AADWAWOOSA-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) | 26.30 Ų |
| XlogP | 4.60 |
| [(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate |
| 3-methylbutanoic acid [(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester |
![2D Structure of [(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/07/2-bornyl-3-methylbutyrate.jpg "2D Structure of [(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate")
| 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 | 98.52% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.43% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.24% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.19% | 94.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.01% | 98.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.93% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.49% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.27% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.92% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.62% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.23% | 91.19% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 82.07% | 92.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.88% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.76% | 96.47% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.51% | 89.05% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.17% | 94.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.15% | 82.50% |
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.
| Artemisia annua |
| Artemisia carvifolia |
| Valeriana officinalis |