(1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one
| Internal ID | ac2f3a13-588c-4ab5-a805-34accab1f786 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one |
| SMILES (Canonical) | CC1CCC2C(CC2(C)C)C(=C)CC(=O)C1 |
| SMILES (Isomeric) | C[C@@H]1CC[C@H]2[C@@H](CC2(C)C)C(=C)CC(=O)C1 |
| InChI | InChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h10,13-14H,2,5-9H2,1,3-4H3/t10-,13+,14+/m1/s1 |
| InChI Key | XIFNHTVOUZHUCY-SWHYSGLUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24O |
| Molecular Weight | 220.35 g/mol |
| Exact Mass | 220.182715385 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r6r9s-61010-trimethyl-2-methylidenebicyclo720undecan-4-one.jpg "2D Structure of (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one")
| 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 | 94.95% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.56% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.79% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.74% | 97.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.03% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.59% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.26% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.12% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.63% | 96.38% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.09% | 85.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.59% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.59% | 85.14% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.97% | 86.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.50% | 96.77% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.08% | 92.50% |
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.
| Buddleja davidii |
| PubChem | 162910133 |
| LOTUS | LTS0136549 |
| wikiData | Q105328444 |