Structure Database (LMSD)

Common Name
Falcarinol
Systematic Name
1,9Z-heptadecadien-4,6-diyn-3R-ol
Synonyms
  • Panaxynol
  • (3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
  • 1,9-Heptadecadiene-4,6-diyn-3-ol
LM ID
LMFA05000689
Formula
C17H24O
Exact Mass
Calculate m/z
244.182715
Sum Composition
FOH 17:6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Daucus carota (#4039)
Magnoliopsida (#3398)
Bioactive C₁₇-Polyacetylenes in Carrots (Daucus carota L.): Current Knowledge and Future Perspectives.,
J Agric Food Chem, 2015
Pubmed ID: 26451696

String Representations

InChiKey (Click to copy)
UGJAEDFOKNAMQD-QXPKXGMISA-N
InChi (Click to copy)
InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1
SMILES (Click to copy)
O[C@H](C=C)C#CC#CC/C=C\CCCCCCC

Other Databases

Wikipedia
Falcarinol
KEGG ID
C08450
CHEBI ID
66722
PubChem CID
5281149
Cayman ID
22407

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 295.61
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.13
Molar Refractivity 79.40

Admin

Created at
-
Updated at
4th Apr 2022