7-Isopropenyl-4-methyl-azulene-1-carboxylic acid
| Internal ID | 763e4641-fb31-45f7-8bd0-cc005af1618f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Guaianes |
| IUPAC Name | 4-methyl-7-prop-1-en-2-ylazulene-1-carboxylic acid |
| SMILES (Canonical) | CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)C(=O)O |
| SMILES (Isomeric) | CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)C(=O)O |
| InChI | InChI=1S/C15H14O2/c1-9(2)11-5-4-10(3)12-6-7-13(15(16)17)14(12)8-11/h4-8H,1H2,2-3H3,(H,16,17) |
| InChI Key | WSJURZJSLWQMRQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.27 g/mol |
| Exact Mass | 226.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 93.37% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.69% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.77% | 98.95% |
| CHEMBL260 | Q16539 | MAP kinase p38 alpha | 90.76% | 97.78% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 88.74% | 95.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.35% | 91.49% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.84% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.23% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.63% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.96% | 97.21% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.51% | 93.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.45% | 94.42% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.10% | 87.67% |
| CHEMBL3961 | Q15759 | MAP kinase p38 beta | 84.59% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.78% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.51% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.65% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.23% | 89.34% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.21% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 129845800 |
| LOTUS | LTS0137085 |
| wikiData | Q105311903 |