4-Methoxy-2-methylazulene-1-carboxylic acid
| Internal ID | f9759cca-1141-470b-a601-39dea6eb405e |
| Taxonomy | Hydrocarbons > Unsaturated hydrocarbons > Olefins > Cyclic olefins > Azulenes |
| IUPAC Name | 4-methoxy-2-methylazulene-1-carboxylic acid |
| SMILES (Canonical) | CC1=C(C2=CC=CC=C(C2=C1)OC)C(=O)O |
| SMILES (Isomeric) | CC1=C(C2=CC=CC=C(C2=C1)OC)C(=O)O |
| InChI | InChI=1S/C13H12O3/c1-8-7-10-9(12(8)13(14)15)5-3-4-6-11(10)16-2/h3-7H,1-2H3,(H,14,15) |
| InChI Key | XKLMVOVADNUKPL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.23 g/mol |
| Exact Mass | 216.078644241 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.93% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.52% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.66% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.56% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.56% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.33% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.28% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.92% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.87% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.49% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.89% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.82% | 99.17% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.78% | 96.47% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.57% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.15% | 90.00% |
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.
| Plagiochila longispina |
| PubChem | 163192327 |
| LOTUS | LTS0084539 |
| wikiData | Q105329551 |