Substance
  • Substance Name: capsaicin
  • Formula: C18H27NO3
  • Molecular Weight: 305.4 g/mol
  • Identifiers:
    • casrn: 404-86-4
    • pubchemId: 1548943
    • iupacname: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
    • inchi: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
    • inchikey: YKPUWZUDDOIDPM-SOFGYWHQSA-N
    • csmiles: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
    • ismiles: CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
    • wikidataId: Q273169
    • chemspiderId: 1265957
    • dsstoxcmpId: DTXCID30241
    • chemblId: CHEMBL294199
    • ecnumber: 206-969-8
capsaicin
Systems and Datasets