COMPOUND: C22048
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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
Mol file
KCF file
DB search
Reaction
R12264
Pathway
map00941
Flavonoid biosynthesis
Enzyme
2.1.1.339
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1212 Chalcones and dihydrochalcones
C22048 4-O-Methylxanthohumol
BRITE hierarchy
Other DBs
PubChem:
384585108
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KCF data
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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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