Structure Database (LMSD)

Common Name
Ginsenoyne K
Systematic Name
(8E)-10-hydroperoxyheptadeca-1,8-dien-4,6-diyn-3-ol
Synonyms
LM ID
LMFA05000664
Formula
C17H24O3
Exact Mass
Calculate m/z
276.172545
Sum Composition
FOH 17:6;O2
Status
Curated
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)
Three acetylenic compounds from roots of Panax ginseng,
Phytochemistry, 1992

String Representations

InChiKey (Click to copy)
SYNBBWLEYQBFQT-NTCAYCPXSA-N
InChi (Click to copy)
InChI=1S/C17H24O3/c1-3-5-6-7-11-14-17(20-19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12+
SMILES (Click to copy)
C=CC(O)C#CC#C/C=C/C(OO)CCCCCCC

Other Databases

HMDB ID
HMDB0040375
CHEBI ID
174647
PubChem CID
15736266

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 313.19
Topological Polar Surface Area 49.69
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.06
Molar Refractivity 82.66

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Created at
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Updated at
14th Sep 2023