KEGG COMPOUND: C09904

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:

ChEBI:

ChEMBL:

KNApSAcK:

3DMET:

NIKKAJI:

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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