KEGG COMPOUND: C09908

COMPOUND: C09908

Entry

C09908                      Compound

Name

Thymol

Formula

C10H14O

Exact mass

150.1045

Mol weight

150.2176

Structure

Remark

Same as:

D01039

Brite

Lipids [BR:br08002]
PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010209 Menthane monoterpenoids
     C09908  Thymol
Phytochemical compounds [BR:br08003]
Terpenoids
  Monoterpenoids (C10)
   Cyclic monoterpenes
    C09908  Thymol
Therapeutic category of drugs in Japan [BR:br08301]
7  Agents not mainly for therapeutic purpose
  73  Public health agents
   731  Antiseptics
    7319  Others
     D01039  Thymol (JP18/NF)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
  Inorganic and organic chemicals
   Thymol
    D01039  Thymol (JP18/NF)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
  D01039  Thymol

Other DBs

CAS:

89-83-8

PubChem:

ChEBI:

LIPIDMAPS:

KNApSAcK:

PDB-CCD:

IPB[PDBj]

3DMET:

B03370

NIKKAJI:

J10.606B

KCF data

ATOM        11
            1   C8y C    24.3488  -18.9804
            2   C8y C    25.5597  -18.2760
            3   C8x C    23.1320  -18.2760
            4   C1c C    24.3546  -20.3777
            5   C8x C    25.5597  -16.8728
            6   O1a O    26.7649  -18.9747
            7   C8x C    23.1320  -16.8728
            8   C1a C    23.1378  -21.0763
            9   C1a C    25.5656  -21.0704
            10  C8y C    24.3488  -16.1801
            11  C1a C    24.3546  -14.7771
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10   10  11 1
            11    7  10 2

» Japanese version

All links

Drug (1)   
   KEGG DRUG (1)   
Chemical substance (12)   
   PubChem (1)   
   ChEBI (2)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   MASSBANK (2)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (13)   

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