Structure Database (LMSD)

Common Name
Panaxydol
Systematic Name
9,10-epoxy-1-heptadecen-4,6-diyn-3-ol
Synonyms
  • 9,10-epoxy-heptadeca-1-en-4,6-diyn-3-ol
LM ID
LMFA05000028
Formula
C17H24O2
Exact Mass
Calculate m/z
260.17763
Sum Composition
FOH 17:6;O
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
Panax ginseng (#4054)
Magnoliopsida (#3398)
Panaxydol, a new polyacetylenic epoxide from Panax ginseng roots,
Phytochemistry, 1980

String Representations

InChiKey (Click to copy)
GVLDSGIQZAFIAN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,2-3,5-7,10,13-14H2,1H3
SMILES (Click to copy)
C(O)(C=C)C#CC#CCC1OC1CCCCCCC

Other Databases

HMDB ID
HMDB0034000
PubChem CID
5283280

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 294.68
Topological Polar Surface Area 32.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.92
Molar Refractivity 79.95

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Updated at
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