LIPID MAPS

Structure Database (LMSD)

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Common Name

Ginsenoyne I

Systematic Name

(4E)-9,10-epoxy-1,4-heptadecadiene-6-yn-3-ol

Synonyms

4,5-dihydropanaxydol

LM ID

LMFA05000778

Formula

C₁₇H₂₆O₂

Exact Mass

Calculate m/z

262.19328

Sum Composition

FOH 17:5;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Panax ginseng (#4054)

Magnoliopsida (#3398)

Three acetylenic compounds from roots of Panax ginseng,
Phytochemistry, 1992

DOI: 10.1016/0031-9422(92)80036-E

String Representations

InChiKey (Click to copy)

AOXSLJSDFVRCQA-FMIVXFBMSA-N

InChi (Click to copy)

InChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,9,12,15-18H,2-3,5-7,10,13-14H2,1H3/b12-9+

SMILES (Click to copy)

C=CC(O)/C=C/C#CCC1OC1CCCCCCC

Other Databases

PubChem CID

15736260

Calculated Physicochemical Properties

Heavy Atoms 19

Rings 1

Aromatic Rings

Rotatable Bonds 9

Van der Waals Molecular Volume 297.32

Topological Polar Surface Area 32.76

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 4.47

Molar Refractivity 81.31

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Created at

15th Sep 2023

Updated at