COMPOUND: C14392
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Entry
C14392 Compound
Name
Equilin;
3-Hydroxyestra-1,3,5(10),7-tetraen-17-one
Formula
C18H20O2
Exact mass
268.1463
Mol weight
268.35
Structure
Mol file
KCF file
DB search
Remark
Same as:
D04041
Brite
Compounds with biological roles [BR:
br08001
]
Steroids
18-Carbon atoms
Estrane derivatives
C14392 Equilin
Lipids [BR:
br08002
]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C14392 Equilin
Drug groups [BR:
br08330
]
Hormonal agent
DG01986 Estrogen
D04041 Equilin
DG01584 Estrogen receptor agonist
D04041 Equilin
Target-based classification of drugs [BR:
br08310
]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D04041 Equilin (USP)
BRITE hierarchy
Other DBs
CAS:
474-86-2
PubChem:
17395392
ChEBI:
42309
LIPIDMAPS:
LMST02010026
PDB-CCD:
EQI
[
PDBj
]
NIKKAJI:
J5.967F
LinkDB
All DBs
KCF data
Show
ATOM 20
1 C8x C 18.6454 -17.2143
2 C8y C 18.6454 -18.5692
3 C8x C 19.8187 -19.2465
4 C8y C 20.9920 -18.5692
5 C8y C 20.9920 -17.2143
6 C8x C 19.8187 -16.5370
7 C1x C 22.1653 -19.2465
8 C2x C 23.3385 -18.5692
9 C2y C 23.3385 -17.2143
10 C1y C 22.1653 -16.5370
11 C1y C 24.5119 -16.5370
12 C1z C 24.5119 -15.1821
13 C1x C 23.3385 -14.5048
14 C1x C 22.1653 -15.1821
15 C1x C 26.8584 -16.5370
16 C1x C 26.8584 -15.1821
17 C5x C 25.6851 -14.5048
18 C1a C 24.4688 -13.8275
19 O5x O 25.6903 -13.1500
20 O1a O 17.4307 -19.2707
BOND 23
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
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 12 18 1 #Up
22 17 19 2
23 2 20 1
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