Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08MUZ
|
|||
| Former ID |
DIB018574
|
|||
| Drug Name |
2-pentenal
|
|||
| Synonyms |
trans-2-Pentenal; 2-PENTENAL; 1576-87-0; (E)-2-Pentenal; (E)-pent-2-enal; 3-Ethylacrolein; 764-39-6; pent-2-enal; 2-Pentenal, (E)-; 2-(E)-Pentenal; 3-Ethyl-2-propenal; (E)-Pent-2-en-1-al; gamma-Methylcrotonaldehyde; 2-Penten-1-al; trans-2-Penten-1-al; UNII-7A4R3CQA2T; FEMA No. 3218; CCRIS 3514; CCRIS 4564; Pentenal, (E)-; 2-Ethylacrylic aldehyde; (E)-2-penten-1-al; EINECS 212-120-2; EINECS 216-414-1; BRN 1719742; 7A4R3CQA2T; CHEMBL256368; DTCCTIQRPGSLPT-ONEGZZNKSA-N; MFCD00009615; trans-2-Pentenal, 97%; Propylidenacetaldehyd
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C5H8O
|
|||
| Canonical SMILES |
CCC=CC=O
|
|||
| InChI |
1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
|
|||
| InChIKey |
DTCCTIQRPGSLPT-ONEGZZNKSA-N
|
|||
| CAS Number |
CAS 1576-87-0
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
3139897, 10509390, 11654823, 12087501, 15119638, 24856320, 24901559, 39386339, 50003030, 50003031, 53786755, 56404914, 57362205, 79361193, 85175804, 87560591, 88835151, 92252181, 103563433, 104082421, 114155590, 114916982, 117397246, 117422949, 118314640, 121270255, 123080753, 126674009, 126676271, 131271021, 131300521, 131325855, 134977743, 135051084, 135103383, 135551792, 135649711, 137004674, 137048940, 142555800, 143438938, 151975792, 162162534, 162241927, 164817473, 164831700, 184567780, 198962166, 202558287, 204357797
|
|||
| ChEBI ID |
CHEBI:61722
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Transformation-sensitive protein p120 (TRPA1) | Target Info | Activator | [2] |
| KEGG Pathway | Inflammatory mediator regulation of TRP channels | |||
| Reactome | TRP channels | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2417). | |||
| REF 2 | Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents. J Med Chem. 2010 Jul 22;53(14):5085-107. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.