(1S,2S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-one
| Internal ID | 52643c93-8180-43e8-90fb-5e515a68b0dd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S,2S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-one |
| SMILES (Canonical) | CC1=CC(=O)C2C3C1C2(CCC3C(C)C)C |
| SMILES (Isomeric) | CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@@]2(CC[C@H]3C(C)C)C |
| InChI | InChI=1S/C15H22O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10,12-14H,5-6H2,1-4H3/t10-,12+,13+,14-,15-/m0/s1 |
| InChI Key | CTFSUCDHRVDRKG-YADOHIMWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H22O |
| Molecular Weight | 218.33 g/mol |
| Exact Mass | 218.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1S,2S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s6s7r8s-15-dimethyl-8-propan-2-yltricyclo440027dec-4-en-3-one.jpg "2D Structure of (1S,2S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.41% | 94.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 92.99% | 85.30% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.31% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.31% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.71% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.42% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.21% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.11% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.86% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.48% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.93% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.32% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.25% | 90.71% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.61% | 86.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.07% | 94.80% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.85% | 93.40% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.39% | 93.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.21% | 91.11% |
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.
| Baccharis latifolia |
| Cyperus articulatus |
| Cyperus rotundus |
| PubChem | 162991826 |
| LOTUS | LTS0084034 |
| wikiData | Q105032717 |