(3S,6R)-3-[(1S,2S)-2-ethenyl-1,3,3-trimethylcyclohexyl]-6-hydroxy-6-methyloct-7-en-2-one
| Internal ID | 7c8ddf5b-574b-475c-b8db-a9a4800d2c2b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids |
| IUPAC Name | (3S,6R)-3-[(1S,2S)-2-ethenyl-1,3,3-trimethylcyclohexyl]-6-hydroxy-6-methyloct-7-en-2-one |
| SMILES (Canonical) | CC(=O)C(CCC(C)(C=C)O)C1(CCCC(C1C=C)(C)C)C |
| SMILES (Isomeric) | CC(=O)[C@@H](CC[C@](C)(C=C)O)[C@]1(CCCC([C@@H]1C=C)(C)C)C |
| InChI | InChI=1S/C20H34O2/c1-8-17-18(4,5)12-10-13-20(17,7)16(15(3)21)11-14-19(6,22)9-2/h8-9,16-17,22H,1-2,10-14H2,3-7H3/t16-,17+,19+,20-/m1/s1 |
| InChI Key | LCQADGYYVNEEOI-LCLWPZTBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (3S,6R)-3-[(1S,2S)-2-ethenyl-1,3,3-trimethylcyclohexyl]-6-hydroxy-6-methyloct-7-en-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s6r-3-1s2s-2-ethenyl-133-trimethylcyclohexyl-6-hydroxy-6-methyloct-7-en-2-one.jpg "2D Structure of (3S,6R)-3-[(1S,2S)-2-ethenyl-1,3,3-trimethylcyclohexyl]-6-hydroxy-6-methyloct-7-en-2-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 | 99.26% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.63% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.85% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.06% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.73% | 95.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.41% | 91.07% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.36% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.47% | 90.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.30% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.61% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.94% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.37% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.22% | 95.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.02% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.28% | 94.73% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.10% | 99.35% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 82.79% | 94.01% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.64% | 89.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.63% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.52% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.20% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.15% | 91.24% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.04% | 97.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.78% | 91.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.35% | 94.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.27% | 93.04% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.83% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.65% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.61% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.26% | 89.34% |
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.
| Fleischmannia microstemon |
| PubChem | 162917691 |
| LOTUS | LTS0077625 |
| wikiData | Q105149939 |