Cinnamaldehyde
| Internal ID | 25d79d92-938a-4ee4-bc9c-53fd99bbd175 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamaldehydes |
| IUPAC Name | (E)-3-phenylprop-2-enal |
| SMILES (Canonical) | C1=CC=C(C=C1)C=CC=O |
| SMILES (Isomeric) | C1=CC=C(C=C1)/C=C/C=O |
| InChI | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ |
| InChI Key | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
| Popularity | 7,156 references in papers |
| Molecular Formula | C9H8O |
| Molecular Weight | 132.16 g/mol |
| Exact Mass | 132.057514874 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 1.90 |
| trans-Cinnamaldehyde |
| 104-55-2 |
| 14371-10-9 |
| Cinnamic aldehyde |
| 3-Phenylacrylaldehyde |
| Cinnamal |
| (E)-Cinnamaldehyde |
| Zimtaldehyde |
| (2E)-3-phenylprop-2-enal |
| 3-Phenylpropenal |
| 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 |
|---|---|---|---|---|---|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
2511.9 nM 12589.3 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL4040 | P28482 | MAP kinase ERK2 |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
631 nM 631 nM |
Potency Potency |
via CMAUP
via Super-PRED |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 |
19000 nM 51400 nM 6500 nM |
EC50 EC50 EC50 |
PMID: 17237762
PMID: 19945872 PMID: 20356305 |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.57% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.11% | 94.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.07% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.58% | 86.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.51% | 94.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.48% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.51% | 94.73% |
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.
| PubChem | 637511 |
| NPASS | NPC235059 |
| ChEMBL | CHEMBL293492 |
| LOTUS | LTS0271313 |
| wikiData | Q204036 |