LIPID MAPS

Structure Database (LMSD)

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Common Name

[6]-Gingerol

Systematic Name

5S-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

Synonyms

Gingerol

LM ID

LMPK15020007

Formula

C₁₇H₂₆O₄

Exact Mass

Calculate m/z

294.18311

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

View MassBank spectra

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Zingiber officinale (#94328)

Magnoliopsida (#3398)

Total Synthesis of Natural Gingerols, the Three Active Principles of Ginger,
j Org Chem, 1993

DOI: 10.1021/jo00060a038

String Representations

InChiKey (Click to copy)

NLDDIKRKFXEWBK-AWEZNQCLSA-N

InChi (Click to copy)

InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1

SMILES (Click to copy)

C1=CC(O)=C(OC)C=C1CCC(=O)C[C@@H](O)CCCCC

Other Databases

KEGG ID

C10462

CHEBI ID

10136

PubChem CID

442793

GuidePharm ID

2428

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 1

Aromatic Rings 1

Rotatable Bonds 10

Van der Waals Molecular Volume 304.00

Topological Polar Surface Area 66.76

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 3.52

Molar Refractivity 83.26

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Created at

6th Jul 2022

Updated at