KEGG   COMPOUND: C22048
Entry
C22048                      Compound                               

Name
4-O-Methylxanthohumol;
(2E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
Formula
C22H24O5
Exact mass
368.1624
Mol weight
368.423
Structure
Reaction
Pathway
map00941  Flavonoid biosynthesis
Enzyme
Other DBs
PubChem: 384585108
ChEMBL: CHEMBL1165313
KCF data

ATOM        27
            1   C8y C    15.5909  -14.7557
            2   C8y C    15.5909  -16.1477
            3   C8y C    16.8437  -16.8437
            4   C8y C    18.0269  -16.1477
            5   C8y C    18.0269  -14.7557
            6   C8x C    16.8437  -14.0597
            7   O1a O    14.4077  -14.0597
            8   O2a O    19.2797  -14.0597
            9   O1a O    16.8437  -18.3053
            10  C5a C    19.2797  -16.8437
            11  C2b C    20.4629  -16.1477
            12  O5a O    19.2797  -18.3053
            13  C1b C    14.4077  -16.8437
            14  C2b C    13.2245  -16.1477
            15  C2c C    12.0413  -16.8437
            16  C1a C    10.7885  -16.1477
            17  C1a C    12.0413  -18.3053
            18  C2b C    21.6461  -16.8437
            19  C8y C    22.8293  -16.1477
            20  C8x C    24.0125  -16.8437
            21  C8x C    25.1957  -16.1477
            22  C8y C    25.1957  -14.7557
            23  C8x C    24.0125  -14.0597
            24  C8x C    22.8293  -14.7557
            25  O2a O    26.4486  -14.0597
            26  C1a C    20.4629  -14.8253
            27  C1a C    27.6623  -14.7873
BOND        28
            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     1   7 1
            8     5   8 1
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   10  12 2
            13    2  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   15  17 1
            18   11  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   22  25 1
            27    8  26 1
            28   25  27 1

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