Structure Database (LMSD)

Common Name
Ginsenoyne A
Systematic Name
8-[3-(hept-6-en-1-yl)oxiran-2-yl]oct-1-en-4,6-diyn-3-ol
Synonyms
LM ID
LMFA05000661
Formula
C17H22O2
Exact Mass
Calculate m/z
258.16198
Sum Composition
FOH 17:7;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)
Polyacetylenes from the roots of Panax ginseng,
Phytochemistry, 1991

String Representations

InChiKey (Click to copy)
FTXZFRIHQNXZNH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h3-4,15-18H,1-2,5-7,10,13-14H2
SMILES (Click to copy)
C=CC(O)C#CC#CCC1OC1CCCCCC=C

Other Databases

HMDB ID
HMDB0039107
CHEBI ID
173844
PubChem CID
5317632

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 292.04
Topological Polar Surface Area 32.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.69
Molar Refractivity 79.85

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Created at
-
Updated at
3rd May 2022