KEGG   COMPOUND: C10453Help
Entry
C10453                      Compound                               

Name
Eugenol
Formula
C10H12O2
Exact mass
164.0837
Mol weight
164.2011
Structure
Mol fileKCF fileDB search
Remark
Same as: D04117
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
Enzyme
1.1.1.318       2.1.1.146
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Others
    C10453  Eugenol
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C10453  Eugenol
Classification of Japanese OTC drugs [BR:br08313]
 Agents for dental and stomatological use
  75 Toothache and pyorrhea remedies
   D04117  Eugenol (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Eugenol
    D04117  Eugenol (USP)
Pharmaceutical additives in Japan [BR:br08316]
 Flavoring substance
  D04117  [102290] Eugenol
 Refresher
  D04117  [102290] Eugenol
Animal drugs in Japan [BR:br08331]
 91  Agents affecting nervous system
  911  General anesthetics
   9119  Other general anesthetics
    C10453  Eugenol
Major components of natural products [BR:br08323]
 Essential oils
  Bay oil
   C10453  Eugenol
  Pimento berry oil
   C10453  Eugenol
  Cinnamon leaf oil
   C10453  Eugenol
BRITE hierarchy
Other DBs
CAS: 97-53-0
PubChem: 12636
ChEBI: 4917
ChEMBL: CHEMBL42710
KNApSAcK: C00000619
PDB-CCD: EOL[PDBj]
3DMET: B03859
NIKKAJI: J3.977B
LinkDB All DBs
KCF data Show

ATOM        12
            1   C8y C    19.4613  -12.6079
            2   C8x C    20.6629  -11.8819
            3   C8y C    19.4847  -14.0097
            4   O2a O    18.2332  -11.9274
            5   C8y C    21.8831  -12.5606
            6   C8x C    20.7227  -14.6843
            7   O1a O    18.2880  -14.7328
            8   C1a C    17.0316  -12.6535
            9   C8x C    21.9162  -13.9563
            10  C1b C    23.0718  -11.8355
            11  C2b C    24.2989  -12.5032
            12  C2a C    25.4956  -11.7801
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10   10  11 1
            11   11  12 2
            12    6   9 1

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