trans-beta-Bergamotene
| Internal ID | 66ea1f35-be5e-41c0-9f6d-b9e83015390e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (1S,5S,6R)-6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane |
| SMILES (Canonical) | CC(=CCCC1(C2CCC(=C)C1C2)C)C |
| SMILES (Isomeric) | CC(=CCC[C@@]1([C@H]2CCC(=C)[C@@H]1C2)C)C |
| InChI | InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1 |
| InChI Key | DGZBGCMPRYFWFF-SOUVJXGZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24 |
| Molecular Weight | 204.35 g/mol |
| Exact Mass | 204.187800766 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 5.10 |
| exo-beta-bergamotene |
| HUX3KW3H6H |
| (-)-beta-trans-Bergamotene |
| beta-Bergamotene, trans- |
| UNII-HUX3KW3H6H |
| (+)-exo-beta-bergamotene |
| 15438-94-5 |
| (1S,5S,6R)-6-Methyl-2-methylene-6-(4-methyl-3-penten-1-yl)bicyclo(3.1.1)heptane |
| Bicyclo(3.1.1)heptane, 6-methyl-2-methylene-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)- |
| beta-trans-bergamotene |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.89% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.83% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.96% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.30% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.48% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.14% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.61% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.24% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.80% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.76% | 95.89% |
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.
| PubChem | 12300069 |
| LOTUS | LTS0130370 |
| wikiData | Q104253348 |