LIPID MAPS

Structure Database (LMSD)

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Common Name

Ginsenoyne B

Systematic Name

10-chloro-heptadeca-1,16-dien-4,6-diyne-3,9-diol

Synonyms

LM ID

LMFA05000759

Formula

C₁₇H₂₃O₂Cl

Exact Mass

Calculate m/z

294.138658

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Panax ginseng (#4054)

Magnoliopsida (#3398)

Polyacetylenes from the roots of Panax ginseng,
Phytochemistry, 1991

DOI: 10.1016/0031-9422(91)83203-W

String Representations

InChiKey (Click to copy)

MORPELUWUARUFU-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C17H23ClO2/c1-3-5-6-7-10-13-16(18)17(20)14-11-8-9-12-15(19)4-2/h3-4,15-17,19-20H,1-2,5-7,10,13-14H2

SMILES (Click to copy)

C=CC(O)C#CC#CCC(O)C(Cl)CCCCCC=C

Other Databases

CHEBI ID

193361

PubChem CID

5317633

Calculated Physicochemical Properties

Heavy Atoms 20

Rings

Aromatic Rings

Rotatable Bonds 9

Van der Waals Molecular Volume 319.61

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 3.89

Molar Refractivity 86.84

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Created at

3rd May 2022

Updated at