Structure Database (LMSD)

O O H H H
Common Name
progesterone
Systematic Name
pregn-4-ene-3,20-dione
Synonyms
  • (S)-4-Pregnene-3,20-dione
  • (S)-Pregn-4-en-3,20-dione
  • (S)-Progesterone
  • 17alpha-progesterone
  • 4-Pregnene-3,20-dione
  • Agolutin
  • Akrolutin
  • Crinone
  • Delta(4)-pregnene-3,20-dione
  • Gelbkoerperhormon
  • PROGESTERONE
  • Progesteron
  • Progesterone
  • corpus luteum hormone
  • luteohormone
  • progesterone
LM ID
LMST02030159
Formula
C21H30O2
Exact Mass
Calculate m/z
314.22458
Sum Composition
ST 21:3;O2
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

String Representations

InChiKey (Click to copy)
RJKFOVLPORLFTN-LEKSSAKUSA-N
InChi (Click to copy)
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])C(=O)C)C)CCC(=O)C=2

References

Other Databases

Wikipedia
progesterone
KEGG ID
C00410
HMDB ID
HMDB0001830
CHEBI ID
17026
PubChem CID
5994
SwissLipids ID
SLM:000390128
Cayman ID
15876
PDB ID
STR
GuidePharm ID
2377

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 332.08
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.72
Molar Refractivity 90.88

Reactions

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Created at
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Updated at
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