KEGG   COMPOUND: C09904
Entry
C09904                      Compound                               

Name
beta-Thujaplicin;
Hinokitiol;
4-Isopropyltropolone
Formula
C10H12O2
Exact mass
164.0837
Mol weight
164.2011
Structure
Remark
Same as: D04876
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Cyclic monoterpenes
    C09904  beta-Thujaplicin
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  58 Ringworm drugs
   D04876  Hinokitiol
  60 Hair remedies (incl. hair growth, hair tonic, anti-dandruff, and antipruritic)
   D04876  Hinokitiol
 Agents for dental and stomatological use
  75 Toothache and pyorrhea remedies
   D04876  Hinokitiol
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Hinokitiol
    D04876  Hinokitiol
Other DBs
CAS: 499-44-5
PubChem: 12090
ChEBI: 10447
ChEMBL: CHEMBL48310
KNApSAcK: C00003062
3DMET: B03367
NIKKAJI: J6.176J
KCF data

ATOM        12
            1   C2y C    31.2170  -16.6548
            2   C2x C    30.3754  -15.5458
            3   C2y C    30.7104  -14.1898
            4   C5x C    31.9707  -13.6120
            5   C2x C    32.6220  -16.6800
            6   C2x C    33.2236  -14.2339
            7   C2x C    33.5099  -15.6019
            8   O5x O    31.9923  -12.2379
            9   C1c C    30.4979  -17.8501
            10  C1a C    31.1737  -19.0705
            11  C1a C    29.0744  -17.8244
            12  O1a O    29.6025  -13.2725
BOND        12
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     4   8 2
            9     1   9 1
            10    9  10 1
            11    9  11 1
            12    3  12 1

» Japanese version

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DRUG (1)   
   CHEMBL (1)   
Chemical substance (9)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   KNApSAcK (1)   
   MASSBANK (3)   
   NIKKAJI (1)   
All databases (12)   

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