KEGG   COMPOUND: C05191
Entry
C05191                      Compound                               

Name
Dihydrosanguinarine;
13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
Formula
C20H15NO4
Exact mass
333.1001
Mol weight
333.3374
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00945  Sanguinarine biosynthesis, (S)-reticuline => sanguinarine
Enzyme
1.3.1.107       1.3.3.8         1.5.3.12        1.14.14.100
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05191  Dihydrosanguinarine
Other DBs
CAS: 3606-45-9
PubChem: 7596
ChEBI: 17209 179641
ChEMBL: CHEMBL465678
KNApSAcK: C00001847 C00024647
PDB-CCD: SGE[PDBj]
3DMET: B01824
NIKKAJI: J394.144B
KCF data

ATOM        25
            1   C8y C    25.3170  -19.5182
            2   C8y C    24.1073  -20.2144
            3   C8y C    26.5337  -20.2406
            4   C8x C    25.3406  -18.1256
            5   C8y C    24.0812  -21.6094
            6   C8x C    22.8930  -19.4944
            7   C8y C    27.7434  -19.5561
            8   N1y N    26.5218  -21.6450
            9   C8x C    26.5598  -17.4411
            10  C1x C    25.2979  -22.3318
            11  C8x C    21.6015  -20.2026
            12  C8y C    27.6969  -18.1540
            13  C8x C    28.9363  -20.2667
            14  C1a C    27.7384  -22.3438
            15  C8x C    28.9744  -17.4791
            16  C8y C    30.1531  -19.5727
            17  C8y C    30.1767  -18.1778
            18  O2x O    31.4672  -20.0292
            19  O2x O    31.5054  -17.7786
            20  C1x C    32.3084  -18.9146
            21  C8y C    22.8676  -22.3235
            22  C8y C    21.6596  -21.6070
            23  O2x O    20.6048  -22.5345
            24  C1x C    21.1611  -23.8241
            25  O2x O    22.5595  -23.6937
BOND        30
            1     2   6 1
            2     3   7 1
            3     3   8 1
            4     4   9 2
            5     5  21 1
            6     5  10 1
            7     6  11 2
            8     7  12 2
            9     7  13 1
            10    8  14 1
            11   12  15 1
            12   13  16 2
            13   15  17 2
            14   16  18 1
            15   17  19 1
            16   18  20 1
            17    8  10 1
            18    9  12 1
            19   11  22 1
            20   16  17 1
            21   19  20 1
            22    1   2 1
            23    1   3 2
            24    1   4 1
            25    2   5 2
            26   21  22 2
            27   22  23 1
            28   23  24 1
            29   24  25 1
            30   25  21 1

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