Entry |
|
Name |
(S)-Canadine;
(S)-Tetrahydroberberine;
(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine;
(-)-Canadine
|
Formula |
C20H21NO4
|
Exact mass |
339.1471
|
Mol weight |
339.38
|
Structure |

|
Reaction |
|
Pathway |
map00950 | Isoquinoline alkaloid biosynthesis |
map01110 | Biosynthesis of secondary metabolites |
|
Module |
M00946 | Noscapine biosynthesis, (S)-reticuline => noscapine |
|
Enzyme |
|
Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C03329 (S)-Canadine
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 25
1 C1y C 26.3087 -19.9213
2 C8y C 25.0849 -19.2452
3 N1y N 27.5151 -19.2160
4 C1x C 26.3146 -21.3084
5 C8y C 25.0732 -17.8406
6 C8x C 23.8842 -19.9679
7 C1x C 28.7274 -19.8979
8 C1x C 27.4977 -17.8174
9 C8y C 27.5384 -22.0018
10 C8x C 23.8435 -17.1528
11 C1x C 26.2796 -17.1238
12 C8y C 22.5846 -19.2860
13 C8y C 28.6691 -21.2908
14 C8x C 27.5443 -23.3948
15 C8y C 22.6313 -17.8815
16 O2x O 21.3258 -19.7406
17 C8y C 29.9512 -21.9844
18 C8x C 28.7624 -24.0766
19 O2x O 21.2909 -17.4618
20 C1x C 20.4808 -18.6158
21 C8y C 29.9629 -23.3772
22 O2a O 31.1577 -21.2675
23 O2a O 31.1751 -24.0709
24 C1a C 32.3698 -21.9552
25 C1a C 32.3931 -23.3656
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 9 14 1
14 10 15 1
15 12 16 1
16 13 17 1
17 14 18 2
18 15 19 1
19 16 20 1
20 17 21 2
21 17 22 1
22 21 23 1
23 22 24 1
24 23 25 1
25 8 11 1
26 9 13 2
27 12 15 2
28 18 21 1
29 19 20 1
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