[(1R,8S,8aR)-8,8a-dimethyl-4-oxo-2-prop-1-en-2-yl-1,6,7,8-tetrahydronaphthalen-1-yl] (Z)-2-methylbut-2-enoate
| Internal ID | 0056c28d-20c3-4132-8b04-5b0db5d22e6e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | [(1R,8S,8aR)-8,8a-dimethyl-4-oxo-2-prop-1-en-2-yl-1,6,7,8-tetrahydronaphthalen-1-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C(=CC(=O)C2=CCCC(C12C)C)C(=C)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H]1C(=CC(=O)C2=CCC[C@@H]([C@@]12C)C)C(=C)C |
| InChI | InChI=1S/C20H26O3/c1-7-13(4)19(22)23-18-15(12(2)3)11-17(21)16-10-8-9-14(5)20(16,18)6/h7,10-11,14,18H,2,8-9H2,1,3-6H3/b13-7-/t14-,18+,20+/m0/s1 |
| InChI Key | LHZDXRMTFYWFRM-KSEJUSODSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O3 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [(1R,8S,8aR)-8,8a-dimethyl-4-oxo-2-prop-1-en-2-yl-1,6,7,8-tetrahydronaphthalen-1-yl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/28f06410-864c-11ee-9968-5b268ae0a293.jpg "2D Structure of [(1R,8S,8aR)-8,8a-dimethyl-4-oxo-2-prop-1-en-2-yl-1,6,7,8-tetrahydronaphthalen-1-yl] (Z)-2-methylbut-2-enoate")
| 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 | 97.89% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.11% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.69% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.34% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.08% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.95% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.93% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.51% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.91% | 92.94% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.07% | 94.80% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.04% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.31% | 94.45% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.18% | 93.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.98% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.60% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.24% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.63% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.13% | 91.07% |
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.
| Cineraria aspera |
| Cineraria geifolia |
| Cineraria parvifolia |
| PubChem | 162879101 |
| LOTUS | LTS0147193 |
| wikiData | Q105152066 |