Structure Database (LMSD)

Common Name
Androstadienone
Systematic Name
Androsta-4,16-dien-3-one
Synonyms
LM ID
LMST02020142
Formula
C19H26O
Exact Mass
Calculate m/z
270.198365
Sum Composition
ST 19:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
The detection of androsta-4,16-dien-3-one in peripheral plasma of adult men.,
Steroids, 1969
Pubmed ID: 4303551

String Representations

InChiKey (Click to copy)
HNDHDMOSWUAEAW-VMXHOPILSA-N
InChi (Click to copy)
InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,15-17H,4-8,10-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C=CC[C@@]4([H])[C@]13[H])C)CCC(=O)C=2

Other Databases

Wikipedia
Androstadienone
PubChem CID
92979

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings
Rotatable Bonds
Van der Waals Molecular Volume 288.69
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 4.68
Molar Refractivity 81.23

Admin

Created at
23rd Aug 2023
Updated at
27th Aug 2023