KEGG   DRUG: Hypericin
Entry
D12433                      Drug                                   
Name
Hypericin (USAN)
Formula
C30H16O8
Exact mass
504.0845
Mol weight
504.4432
Structure
Source
Hypericum perforatum [TAX:65561]
Remark
Same as: C07606
Chemical structure group: DG03268
Efficacy
Antineoplastic
Comment
containing enantiomers
Topical photodynamic therapy for cutaneous T- cell lymphoma (CTCL) lesions
Other DBs
CAS: 1372719-41-9
LinkDB
KCF data

ATOM        38
            1   C8x C     7.8400   -9.8000
            2   C8y C     7.8400  -11.2000
            3   C8y C     9.0524  -11.9000
            4   C8y C    10.2649  -11.2000
            5   C8y C    10.2649   -9.8000
            6   C8y C     9.0524   -9.1000
            7   C8y C    11.4773  -11.9000
            8   C8y C    12.6897  -11.2000
            9   C8y C    12.6897   -9.8000
            10  C5x C    11.4773   -9.1000
            11  C8y C    13.9022  -11.9000
            12  C8y C    15.1146  -11.2000
            13  C8x C    15.1146   -9.8000
            14  C8y C    13.9022   -9.1000
            15  C8y C    11.4773  -13.3000
            16  C8y C    12.6897  -14.0000
            17  C8y C    13.9022  -13.3000
            18  C8y C     9.0524  -13.3000
            19  C8y C    10.2649  -14.0000
            20  C8y C     7.8400  -14.0000
            21  C8x C     7.8400  -15.4000
            22  C8y C     9.0524  -16.1000
            23  C8y C    10.2649  -15.4000
            24  C5x C    11.4773  -16.1000
            25  C8y C    12.6897  -15.4000
            26  C8y C    13.9022  -16.1000
            27  C8x C    15.1146  -15.4000
            28  C8y C    15.1146  -14.0000
            29  C1a C     6.6276  -11.9000
            30  O1a O     9.0524   -7.7002
            31  O5x O    11.4773   -7.7000
            32  O1a O    13.9022   -7.7003
            33  O1a O    16.3311  -11.9023
            34  C1a C     6.6276  -13.3000
            35  O1a O     9.0524  -17.4998
            36  O5x O    11.4773  -17.5000
            37  O1a O    13.9022  -17.4997
            38  O1a O    16.3311  -13.2977
BOND        45
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17    7  15 2
            18   15  16 1
            19   16  17 1
            20   17  11 1
            21    3  18 1
            22   18  19 1
            23   19  15 1
            24   18  20 2
            25   20  21 1
            26   21  22 2
            27   22  23 1
            28   19  23 2
            29   23  24 1
            30   24  25 1
            31   16  25 2
            32   25  26 1
            33   26  27 2
            34   27  28 1
            35   17  28 2
            36    2  29 1
            37    6  30 1
            38   10  31 2
            39   14  32 1
            40   12  33 1
            41   20  34 1
            42   22  35 1
            43   24  36 2
            44   26  37 1
            45   28  38 1

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