KEGG   COMPOUND: C11250Help
Entry
C11250                      Compound                               

Name
Demecolcine;
Colcemid
Formula
C21H25NO5
Exact mass
371.1733
Mol weight
371.4269
Structure
Mol fileKCF fileDB search
Remark
ATC code: L01CC01
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C11250  Demecolcine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
    L01CC Colchicine derivatives
     L01CC01 Demecolcine
      C11250  Demecolcine
BRITE hierarchy
Other DBs
CAS: 477-30-5
PubChem: 13427
ChEBI: 4393
ChEMBL: CHEMBL433632
KNApSAcK: C00027138
NIKKAJI: J9.231B
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    18.2269  -14.9203
            2   C2y C    19.3530  -15.7540
            3   C8y C    17.0497  -15.6551
            4   C8y C    18.1977  -13.5323
            5   C2y C    20.7004  -15.4047
            6   C2x C    18.7870  -17.0315
            7   C8y C    15.8245  -14.9960
            8   O2a O    17.0963  -17.0431
            9   C8x C    16.9682  -12.8673
            10  C1x C    19.2598  -12.6285
            11  C1y C    21.2663  -14.1332
            12  C2x C    21.8204  -16.2443
            13  C2x C    19.4346  -18.2740
            14  C8y C    15.8538  -13.6022
            15  O2a O    14.6403  -15.7307
            16  C1a C    15.9119  -17.7779
            17  C1x C    20.6305  -12.8965
            18  C5x C    21.8729  -17.6382
            19  C2y C    20.8050  -18.5361
            20  O2a O    14.5589  -12.9429
            21  C1a C    13.4164  -15.0716
            22  O5x O    23.1432  -18.1984
            23  O2a O    21.1614  -19.8833
            24  C1a C    14.4423  -11.5491
            25  C1a C    19.9592  -20.8637
            26  N1b N    22.6792  -14.1634
            27  C1a C    23.6829  -15.4789
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 1
            16   10  17 1
            17   12  18 1
            18   13  19 2
            19   14  20 1
            20   15  21 1
            21   18  22 2
            22   19  23 1
            23   20  24 1
            24   23  25 1
            25    9  14 2
            26   11  17 1
            27   18  19 1
            28   11  26 1
            29   26  27 1

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