Structure Database (LMSD)

OH O OH
Common Name
6-((Z)-pentadec-8-en-1-yl)salicylic acid
Systematic Name
(Z)-2-(pentadec-8-en-1-yl)-6-hydroxybenzoic acid
Synonyms
  • Ginkgolic acid
LM ID
LMPK15040003
Formula
C22H34O3
Exact Mass
Calculate m/z
346.250795
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Anacardic acids and derivatives [PK1504]

String Representations

InChiKey (Click to copy)
YXHVCZZLWZYHSA-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
SMILES (Click to copy)
C1C=C(CCCCCCC/C=C\CCCCCC)C(C(O)=O)=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anacardium occidentale (#171929)
Magnoliopsida (#3398)
Antibacterial agents from the cashew Anacardium occidentale (Anacardiaceae) nut shell oil,
J. Agric. Food Chem., 1991

Other Databases

KEGG ID
C10794
CHEBI ID
5354
PubChem CID
5281858
Cayman ID
18422

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 379.07
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.50
Molar Refractivity 104.37

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Created at
-
Updated at
2nd Feb 2022