KEGG COMPOUND: C10453

COMPOUND: C10453

Entry

C10453                      Compound

Name

Eugenol

Formula

C10H12O2

Exact mass

164.0837

Mol weight

164.2011

Structure

Remark

Same as:

D04117

Reaction

R09930 R10248 R10250

Pathway

map00940

Phenylpropanoid biosynthesis

Enzyme

1.1.1.318 2.1.1.146

Brite

Phytochemical compounds [BR:br08003]
Phenylpropanoids
  Monolignols
   Others
    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)
Animal drugs in Japan [BR:br08331]
91  Agents affecting nervous system
  911  General anesthetics
   9119  Other general anesthetics
    C10453  Eugenol

Other DBs

CAS:

97-53-0

PubChem:

12636

ChEBI:

4917

KNApSAcK:

C00000619

PDB-CCD:

EOL[PDBj]

3DMET:

B03859

NIKKAJI:

J3.977B

KCF data

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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