KEGG   DRUG: HinokitiolHelp
Entry
D04876                      Drug                                   

Name
Hinokitiol
Formula
C10H12O2
Exact mass
164.0837
Mol weight
164.2011
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C09904
Product (mixture): D04879<JP>
Efficacy
Antibacterial
Comment
Component of Hinoporon (TN)
Brite
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
BRITE hierarchy
Other DBs
CAS: 499-44-5
PubChem: 17398206
ChEBI: 10447
ChEMBL: CHEMBL48310
LigandBox: D04876
NIKKAJI: J6.176J
LinkDB All DBs
KCF data Show

ATOM        12
            1   C2y C    14.8908  -16.1531
            2   C2x C    14.0461  -15.0401
            3   C2y C    14.3823  -13.6792
            4   C5x C    15.6472  -13.0993
            5   C2x C    16.3009  -16.1784
            6   C2x C    16.9046  -13.7235
            7   C2x C    17.1920  -15.0964
            8   O5x O    15.6689  -11.7202
            9   C1c C    14.1691  -17.3528
            10  C1a C    14.8473  -18.5776
            11  C1a C    12.7404  -17.3270
            12  O1a O    13.2704  -12.7586
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

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