| | COMPOUND: C12724 | |
Entry |
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Name |
|
Formula |
C24H32O4
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Exact mass |
384.2301
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Mol weight |
384.51
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Structure |
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Remark |
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Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
C12724 Ethynodiol diacetate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03D PROGESTOGENS
G03DC Estren derivatives
G03DC06 Etynodiol
D01294 Ethynodiol diacetate (JAN/USP)
Drug groups [BR:br08330]
Hormonal agent
DG02004 Progesterone
DG00470 Etynodiol
D01294 Ethynodiol diacetate
DG01666 Progesterone receptor agonist
DG00470 Etynodiol
D01294 Ethynodiol diacetate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D01294 Ethynodiol diacetate (JAN/USP)
3-Ketosteroid receptor
NR3C3 (PGR)
D01294 Ethynodiol diacetate (JAN/USP)
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Other DBs |
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KCF data |
ATOM 28
1 C1z C 32.5621 -17.5755
2 C1z C 31.3855 -18.2571
3 C1x C 33.7388 -18.2629
4 C3b C 33.7445 -16.8881
5 O7a O 32.5504 -16.2067
6 C1y C 31.3855 -19.6143
7 C1x C 30.2088 -17.5698
8 C1a C 31.3796 -16.8707
9 C1x C 33.7329 -19.6202
10 C1y C 30.2030 -20.2959
11 C1x C 29.0263 -18.2512
12 C1y C 29.0206 -19.6143
13 C1x C 30.1388 -21.6589
14 C1y C 27.8438 -20.2959
15 C1x C 29.0263 -22.3463
16 C2y C 27.8438 -21.6647
17 C1x C 26.6613 -19.6143
18 C2x C 26.6613 -22.3463
19 C1x C 25.4789 -20.2959
20 C1y C 25.4789 -21.6647
21 O7a O 24.2722 -22.3620
22 C7a C 23.0651 -21.6655
23 C1a C 21.8585 -22.3628
24 O6a O 23.1346 -20.2719
25 C3a C 34.9456 -16.1839
26 C7a C 32.5384 -14.8114
27 C1a C 33.7393 -14.1041
28 O6a O 31.3255 -14.1250
BOND 31
1 10 12 1
2 10 13 1
3 12 14 1
4 13 15 1
5 14 16 1
6 14 17 1
7 16 18 2
8 17 19 1
9 18 20 1
10 6 9 1
11 11 12 1
12 15 16 1
13 19 20 1
14 1 2 1
15 1 3 1
16 1 4 1 #Down
17 20 21 1 #Up
18 1 5 1 #Up
19 21 22 1
20 2 6 1
21 22 23 1
22 2 7 1
23 22 24 2
24 2 8 1 #Up
25 4 25 3
26 3 9 1
27 5 26 1
28 6 10 1
29 26 27 1
30 7 11 1
31 26 28 2
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