Isobornyl 2-methylbutyrate
| Internal ID | 764fb9f0-af98-4ab3-8a84-3626d2a225d1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3 |
| InChI Key | CEVCMCWHMHJEQS-UHFFFAOYSA-N |
| Popularity | 7 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 | 4.50 |
| Isobornyl 2-methylbutyrate |
| 94200-10-9 |
| EINECS 303-487-0 |
| (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate |
| Bornyl 2-methylbutanoate |
| isobornyl-2-methylbutanoate |
| Isobornyl 2-methyl butyrate |
| SCHEMBL786210 |
| DTXSID70869207 |
| CEVCMCWHMHJEQS-UHFFFAOYSA-N |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.10% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.40% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.26% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.30% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.72% | 96.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.54% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.28% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.96% | 98.03% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.38% | 89.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.00% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.57% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.48% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.50% | 98.95% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.15% | 82.50% |
| CHEMBL268 | P43235 | Cathepsin K | 81.00% | 96.85% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.61% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.52% | 95.89% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.24% | 98.05% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.20% | 94.33% |
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 salsoloides |
| PubChem | 22082179 |
| LOTUS | LTS0052233 |
| wikiData | Q67879740 |