KEGG   DRUG: EndrysoneHelp
Entry
D03995                      Drug                                   

Name
Endrysone (USAN/INN)
Formula
C22H30O3
Exact mass
342.2195
Mol weight
342.4718
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory (topical, ophthalimic)
Other DBs
CAS: 35100-44-8
PubChem: 47205976
ChEMBL: CHEMBL2104631
LigandBox: D03995
NIKKAJI: J17.551J
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1z C    32.4710  -14.0214
            2   C1y C    32.4826  -15.3756
            3   C1y C    33.6220  -13.3239
            4   C1x C    31.2968  -13.3529
            5   C1y C    31.3084  -16.0615
            6   C1x C    34.8192  -15.4107
            7   C1x C    34.8019  -13.9865
            8   C5a C    33.6103  -11.9695
            9   C1y C    30.1112  -14.0387
            10  C1y C    30.1170  -15.3873
            11  C1x C    31.3084  -17.4215
            12  C1a C    34.7844  -11.2895
            13  O5a O    32.4420  -11.2895
            14  C1z C    28.9429  -16.0674
            15  C1y C    30.1345  -18.1132
            16  C2y C    28.9195  -17.4332
            17  C2x C    27.7687  -15.3989
            18  C2x C    27.7804  -18.1307
            19  C2x C    26.5888  -16.0790
            20  C5x C    26.6181  -17.5146
            21  O5x O    25.4279  -18.2340
            22  C1a C    28.9337  -14.6730
            23  O1a O    28.9049  -13.3466
            24  C1a C    30.1207  -19.4980
            25  C1a C    32.4594  -12.6293
BOND        28
            1     4   9 1
            2     5  10 1
            3     5  11 1
            4     8  12 1
            5     8  13 2
            6    10  14 1
            7    11  15 1
            8    14  16 1
            9    14  17 1
            10   16  18 2
            11   17  19 2
            12   18  20 1
            13    6   7 1
            14    9  10 1
            15   15  16 1
            16   19  20 1
            17    1   2 1
            18   20  21 2
            19    1   3 1
            20   14  22 1 #Up
            21    1   4 1
            22    9  23 1 #Up
            23    2   5 1
            24   15  24 1 #Down
            25    2   6 1
            26    3   7 1
            27    1  25 1 #Up
            28    3   8 1 #Up

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