2-(8-formyl-4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid
| Internal ID | 2e2f9c4d-2430-4e6c-9576-1ae75949c7b4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 2-(8-formyl-4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid |
| SMILES (Canonical) | CC12CCCC(=C1CC(CC2)C(=C)C(=O)O)C=O |
| SMILES (Isomeric) | CC12CCCC(=C1CC(CC2)C(=C)C(=O)O)C=O |
| InChI | InChI=1S/C15H20O3/c1-10(14(17)18)11-5-7-15(2)6-3-4-12(9-16)13(15)8-11/h9,11H,1,3-8H2,2H3,(H,17,18) |
| InChI Key | GPVMEUAENVXBFP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 2.90 |
| 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 | 93.59% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.91% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.06% | 97.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.49% | 97.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.61% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.45% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.80% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.55% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.74% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.36% | 91.19% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.02% | 95.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.27% | 83.82% |
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.
| Pluchea dioscoridis |
| PubChem | 162861321 |
| LOTUS | LTS0215721 |
| wikiData | Q105015203 |