KEGG   COMPOUND: C02106Help
Entry
C02106                      Compound                               

Name
(S)-Scoulerine;
(13aS)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol
Formula
C19H21NO4
Exact mass
327.1471
Mol weight
327.3743
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.19.65      1.14.19.73      1.21.3.3        2.1.1.117
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C02106  (S)-Scoulerine
BRITE hierarchy
Other DBs
CAS: 6451-73-6
PubChem: 5188
ChEBI: 17129
ChEMBL: CHEMBL1235966
KNApSAcK: C00026092
PDB-CCD: SLX[PDBj]
3DMET: B01533
NIKKAJI: J92.838K
KCF data Show

ATOM        24
            1   C1y C    28.8572  -17.6522
            2   C8y C    27.6423  -18.3472
            3   N1y N    30.0781  -18.3355
            4   C1x C    28.8455  -16.2562
            5   C8y C    27.6481  -19.7491
            6   C8x C    26.4390  -17.6462
            7   C1x C    31.2813  -17.6288
            8   C1x C    30.0838  -19.7433
            9   C8y C    30.0547  -15.5435
            10  C1x C    28.8689  -20.4500
            11  C8x C    26.4390  -20.4560
            12  C8y C    25.2181  -18.3472
            13  C8y C    31.2696  -16.2328
            14  C8x C    30.0430  -14.1474
            15  C8y C    25.2181  -19.7491
            16  O1a O    24.0090  -17.6462
            17  C8y C    32.4729  -15.5202
            18  C8x C    31.2404  -13.4464
            19  O2a O    24.0090  -20.4560
            20  C8y C    32.4553  -14.1240
            21  O1a O    33.6878  -16.2094
            22  C1a C    22.7882  -19.7550
            23  O2a O    33.6587  -13.4173
            24  C1a C    34.8853  -14.1006
BOND        27
            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 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 2
            20   17  21 1
            21   19  22 1
            22   20  23 1
            23   23  24 1
            24    8  10 1
            25    9  13 2
            26   12  15 2
            27   18  20 1

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