Structure Database (LMSD)

Common Name
Ginsenoyne C
Systematic Name
heptadeca-1,16-dien-4,6-diyne-3,9,10-triol
Synonyms
LM ID
LMFA05000662
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
View NP-MRD ID(NMR) spectrum

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)
WNVDKDQMWFSCPI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H24O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h3-4,15-20H,1-2,5-7,10,13-14H2
SMILES (Click to copy)
C=CC(O)C#CC#CCC(O)C(O)CCCCCC=C

Other Databases

HMDB ID
HMDB0038994
CHEBI ID
168351
PubChem CID
5317634

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 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 2.65
Molar Refractivity 83.20

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Created at
-
Updated at
3rd May 2022