3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid
Internal ID | 449e9bab-d560-47e9-ac69-43a8cd0aa7dc |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
IUPAC Name | 2-(4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)prop-2-enoic acid |
SMILES (Canonical) | CC1=C2CC(CCC2(C=CC1=O)C)C(=C)C(=O)O |
SMILES (Isomeric) | CC1=C2CC(CCC2(C=CC1=O)C)C(=C)C(=O)O |
InChI | InChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18) |
InChI Key | FPCQVGOUFYTXFX-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C15H18O3 |
Molecular Weight | 246.30 g/mol |
Exact Mass | 246.125594432 g/mol |
Topological Polar Surface Area (TPSA) | 54.40 Ų |
XlogP | 2.70 |
CHEBI:197164 |
2-(4A,8-DIMETHYL-7-OXO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-YL)PROP-2-ENOIC ACID |
![2D Structure of 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid 2D Structure of 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-oxo-141113-eudesmatrien-12-oic-acid.jpg)
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 |
---|---|---|---|---|
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 89.69% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.99% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.80% | 96.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.18% | 99.23% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.95% | 93.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.83% | 89.00% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.39% | 93.04% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.20% | 97.05% |
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 vulgaris |
PubChem | 14864220 |
LOTUS | LTS0095236 |
wikiData | Q104999082 |