Summary
IMPPAT Phytochemical identifier: IMPHY015677
Phytochemical name: 2,5,9-Trimethyl-4,9-decadienal
Synonymous chemical names:(e)-trimenal, e-trimenal
External chemical identifiers:CID:6438313, SureChEMBL:SCHEMBL2737163
Chemical structure information
SMILES:
O=CC(C/C=C(/CCCC(=C)C)C)CInChI:
InChI=1S/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h8,10,13H,1,5-7,9H2,2-4H3/b12-8+InChIKey:
MINJGYRWHNAENM-XYOKQWHBSA-NDeepSMILES:
O=CCC/C=C/CCCC=C)C)))))C))))CFunctional groups:
C/C=C(/C)C, C=C(C)C, CC=O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbonyl compounds
NP-Likeness score: 2.253
Chemical structure download
