(+)-alpha-Barbatene
| Internal ID | 3fb5443d-0532-421d-847e-5d59fb13115f |
| Taxonomy | Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons |
| IUPAC Name | (1R,2R,6S,7R)-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene |
| SMILES (Canonical) | CC1=CCC2(CC1C3(C2(CCC3)C)C)C |
| SMILES (Isomeric) | CC1=CC[C@@]2(C[C@H]1[C@]3([C@@]2(CCC3)C)C)C |
| InChI | InChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,12H,5,7-10H2,1-4H3/t12-,13-,14+,15-/m1/s1 |
| InChI Key | RMKQBFUAKZOVPQ-APIJFGDWSA-N |
| Popularity | 10 references 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 | 4.80 |
| (3aR,4R,8R,8aS)-3a,4,7,8a-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene |
| alpha-Barbatene |
| 53060-59-6 |
| CHEBI:61690 |
| Q27131291 |
| (1R,2R,6S,7R)-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene |
| 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 | 93.06% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.44% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.44% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.95% | 97.79% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.73% | 86.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.20% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.47% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.04% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.27% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.93% | 95.38% |
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 | 14037349 |
| LOTUS | LTS0132160 |
| wikiData | Q27131291 |