KEGG   COMPOUND: C10312Help
Entry
C10312                      Compound                               

Name
Danthron;
Chrysazin;
1,8-Dihydroxyanthraquinone
Formula
C14H8O4
Exact mass
240.0423
Mol weight
240.2109
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C10312  Danthron
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C10312  Danthron
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AB Contact laxatives
     A06AB03 Dantron
      D07107  Dantron (INN)
Phytochemicals used as drugs [BR:br08306]
 Polyketides
  Quinones
   Anthraquinones
    Anthraquinone type
     D07107  Dantron (INN)
BRITE hierarchy
Other DBs
CAS: 
117-10-2
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        18
            1   C8y C    27.0685  -15.9781
            2   C8y C    27.0626  -17.3819
            3   C5x C    28.2857  -15.2908
            4   C8y C    25.8569  -15.2849
            5   C5x C    28.2743  -18.0925
            6   C8x C    25.8569  -18.0866
            7   C8y C    29.4974  -15.9898
            8   O5x O    28.2917  -13.8869
            9   C8x C    24.6395  -15.9781
            10  O1a O    25.8628  -13.8812
            11  C8y C    29.4857  -17.3878
            12  O5x O    28.2683  -19.4905
            13  C8x C    24.6395  -17.3819
            14  C8y C    30.7148  -15.3082
            15  C8x C    30.6856  -18.0982
            16  C8x C    31.9205  -16.0131
            17  O1a O    30.7264  -13.9045
            18  C8x C    31.9030  -17.4109
BOND        20
            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     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    7  14 1
            14   11  15 1
            15   14  16 2
            16   14  17 1
            17   15  18 2
            18    7  11 2
            19    9  13 1
            20   16  18 1

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