KEGG   DRUG: Eugenol
Entry
D04117                      Drug                                   
Name
Eugenol (USP)
Formula
C10H12O2
Exact mass
164.0837
Mol weight
164.2011
Structure
Simcomp
Remark
Same as: C10453
Product (mixture): D04857<JP>
Efficacy
Analgesic (dental), Disinfectant
Comment
Eugenol is a principal ingredient of Clove oil [DR:D06823].
Component of Neodyne (TN)
Brite
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)
Other DBs
CAS: 97-53-0
PubChem: 47206065
ChEBI: 4917
PDB-CCD: EOL[PDBj]
LigandBox: D04117
NIKKAJI: J3.977B
KCF data

ATOM        12
            1   C8y C    21.0714  -17.1580
            2   C8x C    22.2730  -16.4320
            3   C8y C    21.0948  -18.5598
            4   O2a O    19.8433  -16.4775
            5   C8y C    23.4932  -17.1107
            6   C8x C    22.3328  -19.2344
            7   O1a O    19.8981  -19.2829
            8   C1a C    18.6417  -17.2036
            9   C8x C    23.5263  -18.5064
            10  C1b C    24.6820  -16.3856
            11  C2b C    25.9091  -17.0533
            12  C2a C    27.1058  -16.3302
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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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   LigandBox (1)   
Chemical substance (8)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (11)   

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