KEGG   DRUG: HymecromoneHelp
Entry
D00170                      Drug                                   

Name
Hymecromone (JP17/USAN/INN);
Cantabiline (TN)
Formula
C10H8O3
Exact mass
176.0473
Mol weight
176.1687
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C03081
ATC code: A05AX02
Efficacy
Choleretic
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A05 BILE AND LIVER THERAPY
   A05A BILE THERAPY
    A05AX Other drugs for bile therapy
     A05AX02 Hymecromone
      D00170  Hymecromone (JP17/USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00170  Hymecromone
BRITE hierarchy
Other DBs
CAS: 90-33-5
PubChem: 7847238
ChEBI: 17224
ChEMBL: CHEMBL12208
PDB-CCD: 4MU[PDBj]
LigandBox: D00170
NIKKAJI: J3.914D
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C    18.4511  -13.3598
            2   C8y C    18.4511  -14.7743
            3   O7x O    19.6561  -12.6612
            4   C8x C    17.2344  -12.6787
            5   C8y C    19.6735  -15.4729
            6   C8x C    17.2344  -15.4788
            7   C8y C    20.8845  -13.3540
            8   C8y C    16.0350  -13.3598
            9   C8x C    20.8378  -14.7802
            10  C1a C    19.6735  -16.8644
            11  C8x C    16.0350  -14.7743
            12  O6a O    22.0779  -12.6671
            13  O1a O    14.8359  -12.6787
BOND        14
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 2
            12    8  13 1
            13    7   9 1
            14    8  11 1

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