KEGG   COMPOUND: C10552
Entry
C10552                      Compound                               

Name
4'-Demethyldeoxypodophyllotoxin;
(-)-4'-Demethyldeoxypodophyllotoxin;
(5R,5aR,8aR)-5-(4-Hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Formula
C21H20O7
Exact mass
384.1209
Mol weight
384.3793
Structure
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10552  4'-Demethyldeoxypodophyllotoxin
Other DBs
CAS: 3590-93-0
PubChem: 12735
ChEBI: 1729
ChEMBL: CHEMBL89905
KNApSAcK: C00002594
3DMET: B03950
NIKKAJI: J15.139D
KCF data

ATOM        28
            1   C1y C    26.0400  -15.7482
            2   C8y C    24.8357  -15.0416
            3   C1y C    27.2562  -15.0590
            4   C8y C    26.0343  -17.1453
            5   C8y C    24.8416  -13.6443
            6   C8x C    23.6312  -15.7425
            7   C1y C    27.2621  -13.6560
            8   C7x C    28.5892  -15.4913
            9   C8x C    24.8183  -17.8299
            10  C8x C    27.2387  -17.8416
            11  C1x C    26.0517  -12.9538
            12  C8x C    23.6312  -12.9480
            13  C8y C    22.4210  -15.0416
            14  C1x C    28.5950  -13.2283
            15  O7x O    29.4127  -14.3627
            16  O6a O    29.0155  -16.8242
            17  C8y C    24.8823  -19.2272
            18  C8y C    27.2328  -19.2389
            19  C8y C    22.4210  -13.6443
            20  O2x O    21.0881  -15.4738
            21  C8y C    26.0166  -19.9338
            22  O2a O    23.5904  -19.9164
            23  O2a O    28.4432  -19.9455
            24  O2x O    21.0941  -13.2050
            25  C1x C    20.2646  -14.3393
            26  O1a O    26.0750  -21.3309
            27  C1a C    22.3743  -19.2097
            28  C1a C    29.6592  -19.2563
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   12  19 2
            19   13  20 1
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28    7  11 1
            29   13  19 1
            30   14  15 1
            31   18  21 1
            32   24  25 1

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