KEGG   COMPOUND: C09654
Entry
C09654                      Compound                               

Name
(+)-Tetrandrine;
Tetrandrine
Formula
C38H42N2O6
Exact mass
622.3043
Mol weight
622.7499
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09654  (+)-Tetrandrine
Other DBs
CAS: 518-34-3
PubChem: 11844
ChEBI: 49
ChEMBL: CHEMBL176045 CHEMBL504958
KNApSAcK: C00001919 C00025278
3DMET: B03167
NIKKAJI: J130.138A
KCF data

ATOM        46
            1   C8y C    27.3110  -13.8130
            2   C8y C    28.4878  -14.4944
            3   C1y C    26.1345  -14.4885
            4   C8y C    27.3170  -12.4557
            5   C8y C    29.6702  -13.8130
            6   O2x O    27.1190  -17.7912
            7   C1x C    26.1286  -15.8458
            8   N1y N    24.9578  -13.8013
            9   C8x C    28.4878  -11.7743
            10  C1x C    26.1462  -11.7683
            11  C8y C    29.6702  -12.4557
            12  O2a O    30.8469  -14.4944
            13  C8y C    28.4005  -18.4086
            14  C8y C    24.9521  -16.5157
            15  C1x C    24.9870  -12.4557
            16  C1a C    23.7813  -14.4594
            17  O2a O    30.8469  -11.7743
            18  C1a C    32.0060  -13.8130
            19  C8x C    28.4004  -19.7659
            20  C8y C    29.4722  -17.6632
            21  C8x C    24.9521  -17.8728
            22  C8x C    23.7813  -15.8284
            23  C1a C    32.0177  -12.4440
            24  C8y C    29.6119  -20.3833
            25  C8x C    30.7595  -18.2923
            26  O2a O    29.4723  -16.3059
            27  C8y C    23.7696  -18.5485
            28  C8x C    22.5988  -16.5041
            29  C8y C    30.7478  -19.6436
            30  C1y C    29.6119  -21.7406
            31  C1a C    30.7539  -15.6420
            32  C8y C    22.5929  -17.8671
            33  O2x O    23.8337  -19.9115
            34  C1x C    31.9594  -20.2436
            35  C1x C    28.5401  -22.4803
            36  N1y N    30.8993  -22.3464
            37  O2a O    21.4221  -18.5311
            38  C8y C    24.9521  -20.5639
            39  C1x C    32.0177  -21.5950
            40  C8y C    27.3344  -21.8687
            41  C1a C    30.9050  -23.6977
            42  C1a C    21.4221  -19.8941
            43  C8x C    26.1169  -19.8533
            44  C8x C    24.9111  -21.9269
            45  C8x C    27.3110  -20.5056
            46  C8x C    26.1752  -22.5736
BOND        52
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 2
            19   13  20 1
            20   14  21 1
            21   14  22 2
            22   17  23 1
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   21  27 2
            27   22  28 1
            28   24  29 2
            29   24  30 1
            30   26  31 1
            31   27  32 1
            32   27  33 1
            33   29  34 1
            34   30  35 1 #Up
            35   30  36 1
            36   32  37 1
            37   33  38 1
            38   34  39 1
            39   35  40 1
            40   36  41 1
            41   37  42 1
            42   38  43 1
            43   38  44 2
            44   40  45 1
            45   40  46 2
            46    9  11 2
            47   10  15 1
            48   25  29 1
            49   28  32 2
            50   36  39 1
            51   43  45 2
            52   44  46 1

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