2-(4-Acetyloxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
| Internal ID | 0113cd4b-8424-4ee4-821b-d7c6f3409d3b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 2-(4-acetyloxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid |
| SMILES (Canonical) | CC(=O)OC1CC(CC2C1(CCCC2=C)C)C(=C)C(=O)O |
| SMILES (Isomeric) | CC(=O)OC1CC(CC2C1(CCCC2=C)C)C(=C)C(=O)O |
| InChI | InChI=1S/C17H24O4/c1-10-6-5-7-17(4)14(10)8-13(11(2)16(19)20)9-15(17)21-12(3)18/h13-15H,1-2,5-9H2,3-4H3,(H,19,20) |
| InChI Key | XWMQVMSNUBGDNJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O4 |
| Molecular Weight | 292.40 g/mol |
| Exact Mass | 292.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
| 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 | 94.82% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.68% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.29% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.04% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.82% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.58% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.26% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.81% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.99% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.78% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.05% | 97.09% |
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.
| Artemisia biennis |
| PubChem | 162909455 |
| LOTUS | LTS0073270 |
| wikiData | Q105343614 |