KEGG   COMPOUND: C07618Help
Entry
C07618                      Compound                               

Name
Mestranol
Formula
C21H26O2
Exact mass
310.1933
Mol weight
310.4299
Structure
Mol fileKCF fileDB search
Remark
Same as: D00575
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00575  Mestranol (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00575  Mestranol
BRITE hierarchy
Other DBs
CAS: 72-33-3
PubChem: 9820
ChEBI: 6784
ChEMBL: CHEMBL1201151
KNApSAcK: C00032009
NIKKAJI: J1.426E
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    18.1300  -26.1100
            2   C8y C    18.1300  -27.5100
            3   C8x C    19.3424  -28.2100
            4   C8y C    20.5549  -27.5100
            5   C8y C    20.5549  -26.1100
            6   C8x C    19.3424  -25.4100
            7   C1x C    21.7673  -28.2100
            8   C1x C    22.9797  -27.5100
            9   C1y C    22.9797  -26.1100
            10  C1y C    21.7673  -25.4100
            11  C1y C    24.1922  -25.4100
            12  C1z C    24.1922  -24.0100
            13  C1x C    22.9797  -23.3100
            14  C1x C    21.7673  -24.0100
            15  C1x C    26.6170  -25.4100
            16  C1x C    26.6170  -24.0100
            17  C1z C    25.4046  -23.3100
            18  O2a O    16.9176  -28.2100
            19  C1a C    15.7221  -27.5196
            20  C1a C    24.1922  -22.6100
            21  O1a O    25.4046  -21.6300
            22  C3b C    26.6170  -22.6100
            23  C3a C    27.8295  -21.9100
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1
            22   18  19 1
            23   12  20 1 #Up
            24   17  21 1 #Up
            25   17  22 1 #Down
            26   22  23 3

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