KEGG   DRUG: Plaunotol
Entry
D01803                      Drug                                   

Name
Plaunotol (JAN/INN);
Kelnac (TN)
Formula
C20H34O2
Exact mass
306.2559
Mol weight
306.4828
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
Remark
Same as: C13273
Efficacy
Anti-ulcerative
Interaction
Structure map
map07038  Antiulcer drugs
Other DBs
CAS: 64218-02-6
PubChem: 7848865
ChEBI: 32023
ChEMBL: CHEMBL285815
LigandBox: D01803
NIKKAJI: J22.741B
LinkDB
KCF data

ATOM        22
            1   C1a C    14.9406  -17.7676
            2   C2c C    16.1516  -18.4687
            3   C2b C    17.3626  -17.7676
            4   C1b C    18.5736  -18.4687
            5   C1b C    19.7846  -17.7676
            6   C2c C    20.9956  -18.4687
            7   C2b C    22.2066  -17.7676
            8   C1b C    23.4176  -18.4687
            9   C1b C    24.6286  -17.7676
            10  C2c C    25.8396  -18.4687
            11  C2b C    27.0506  -17.7676
            12  C1b C    28.2616  -18.4687
            13  C1b C    29.4726  -17.7676
            14  C2c C    30.6836  -18.4687
            15  C2b C    31.8946  -17.7676
            16  C1b C    33.1056  -18.4687
            17  O1a O    34.3166  -17.7676
            18  C1a C    16.1516  -19.8709
            19  C1a C    20.9956  -19.8709
            20  C1b C    25.8396  -19.8709
            21  C1a C    30.6836  -19.8709
            22  O1a O    27.0487  -20.5691
BOND        21
            1     5   6 1
            2    11  12 1
            3     1   2 1
            4    12  13 1
            5     6   7 2
            6    13  14 1
            7     3   4 1
            8    14  15 2
            9     7   8 1
            10   15  16 1
            11   16  17 1
            12    8   9 1
            13    2  18 1
            14    4   5 1
            15    6  19 1
            16    9  10 1
            17   10  20 1
            18    2   3 2
            19   10  11 2
            20   14  21 1
            21   20  22 1

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