KEGG   COMPOUND: C03329
Entry
C03329                      Compound                               

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
339.385
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00946  Noscapine biosynthesis, (S)-reticuline => noscapine
Enzyme
1.3.3.8         1.14.19.68      2.1.1.122
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C03329  (S)-Canadine
Other DBs
CAS: 5096-57-1
PubChem: 6176
ChEBI: 16592
ChEMBL: CHEMBL490533
KNApSAcK: C00001827 C00028005
3DMET: B01651
NIKKAJI: J71.178K
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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