Thujic acid
| Internal ID | e7bdaa3d-3793-4eb5-aaac-bde303a02f52 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids |
| IUPAC Name | 5,5-dimethylcyclohepta-1,3,6-triene-1-carboxylic acid |
| SMILES (Canonical) | CC1(C=CC=C(C=C1)C(=O)O)C |
| SMILES (Isomeric) | CC1(C=CC=C(C=C1)C(=O)O)C |
| InChI | InChI=1S/C10H12O2/c1-10(2)6-3-4-8(5-7-10)9(11)12/h3-7H,1-2H3,(H,11,12) |
| InChI Key | JHHXPQAUADQJBQ-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.20 g/mol |
| Exact Mass | 164.083729621 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.80 |
| 499-89-8 |
| 5,5-dimethylcyclohepta-1,3,6-triene-1-carboxylic acid |
| 8P6RC5945T |
| NSC36728 |
| NSC-36728 |
| 5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid |
| dehydroperillic acid |
| Thujasaure |
| UNII-8P6RC5945T |
| NSC 36728 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.48% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.23% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.11% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.06% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.18% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.05% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.30% | 91.11% |
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.
| Calocedrus formosana |
| Thuja plicata |
| PubChem | 72620 |
| LOTUS | LTS0112569 |
| wikiData | Q27270848 |