4-Methylazulene-1-carbaldehyde
| Internal ID | ad684dc3-2d79-465f-8b85-81b4f0d6d5a2 |
| Taxonomy | Hydrocarbons > Unsaturated hydrocarbons > Olefins > Cyclic olefins > Azulenes |
| IUPAC Name | 4-methylazulene-1-carbaldehyde |
| SMILES (Canonical) | CC1=CC=CC=C2C1=CC=C2C=O |
| SMILES (Isomeric) | CC1=CC=CC=C2C1=CC=C2C=O |
| InChI | InChI=1S/C12H10O/c1-9-4-2-3-5-12-10(8-13)6-7-11(9)12/h2-8H,1H3 |
| InChI Key | XFIJHAZBIDZQAB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H10O |
| Molecular Weight | 170.21 g/mol |
| Exact Mass | 170.073164938 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 2.70 |
| 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 | 97.41% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.20% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.56% | 91.49% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 93.26% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.01% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.17% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.58% | 96.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.48% | 98.11% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.53% | 93.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.87% | 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.
| Calypogeia azurea |
| Neolitsea aciculata |
| PubChem | 21703125 |
| LOTUS | LTS0219743 |
| wikiData | Q105327049 |