KEGG   DRUG: Transcrocetin
Entry
D11912                      Drug                                   
Name
Transcrocetin (USAN)
Formula
C20H24O4
Exact mass
328.1675
Mol weight
328.4022
Structure
Remark
Same as: C08588
Comment
Treatment of acute respiratory distress syndrome (ARDS) with COVID-19, treatment of cytokine storms
Target
Amyloid beta [CPD:C16514 C16515]
Other DBs
CAS: 27876-94-4
LinkDB
KCF data

ATOM        24
            1   C2b C    25.2902  -15.8326
            2   C2c C    26.4811  -16.5332
            3   C2b C    24.0992  -16.5332
            4   C6a C    27.7421  -15.8326
            5   C1a C    26.4811  -17.9343
            6   C2b C    22.9083  -15.8326
            7   O6a O    27.7421  -14.4315
            8   O6a O    28.9331  -16.5332
            9   C2c C    21.6473  -16.5332
            10  C2b C    20.4563  -15.8326
            11  C1a C    21.6473  -17.9343
            12  C2b C    19.2654  -16.5332
            13  C2b C    18.0044  -15.8326
            14  C2b C    16.8134  -16.5332
            15  C2c C    15.6225  -15.8326
            16  C2b C    14.3614  -16.5332
            17  C1a C    15.6225  -14.4315
            18  C2b C    13.1705  -15.8326
            19  C2b C    11.9795  -16.5332
            20  C2c C    10.7886  -15.8326
            21  C6a C     9.5276  -16.5332
            22  C1a C    10.7886  -14.4315
            23  O6a O     9.5276  -17.9343
            24  O6a O     8.3366  -15.8326
BOND        23
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     4   8 1
            8     6   9 1
            9     9  10 2
            10    9  11 1
            11   10  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   15  17 1
            17   16  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   20  22 1
            22   21  23 2
            23   21  24 1

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