Structure Database (LMSD)

O
Common Name
Dehydrofalcarinone
Systematic Name
1,9Z,16-heptadecatrien-4,6-diyn-3-one
Synonyms
  • (Z)-heptadeca-1,9,16-trien-4,6-diyn-3-one
LM ID
LMFA12000337
Formula
C17H20O
Exact Mass
Calculate m/z
240.151415
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
HLHBDMWPPKHNDQ-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,10-11H,1-2,5-9,12H2/b11-10-
SMILES (Click to copy)
C=CC(=O)C#CC#CC/C=C\CCCCCC=C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Artemisia dracunculus (#72341)
Magnoliopsida (#3398)
Aromatic acetylenes and dehydrofalcarinone derivatives within the Artemisia dracunculus group,
Phytochemistry, 1979

Other Databases

KEGG ID
C08445
CHEBI ID
4364
PubChem CID
5281145

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 290.33
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.83
Molar Refractivity 77.80

Admin

Created at
-
Updated at
-