Entry |
|
Name |
Danthron;
Chrysazin;
1,8-Dihydroxyanthraquinone
|
Formula |
C14H8O4
|
Exact mass |
240.0423
|
Mol weight |
240.2109
|
Structure |
|
Remark |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C10312 Danthron
Phytochemical compounds [BR:br08003]
Polyketides
Anthraquinones
Anthraquinone type
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)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01770 Laxative
D07107 Dantron
|
Other DBs |
|
LinkDB |
|
KCF data |
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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