Structure Database (LMSD)
Common Name
17Z-Insignoic acid C
Systematic Name
6-ethoxy-4-oxotetracosa-2E,17Z-dienoic acid
Synonyms
LM ID
LMFA01060253
Formula
Exact Mass
Calculate m/z
422.33961
Sum Composition
Status
Active
3D model of 17Z-Insignoic acid C
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BINCGELDRTZDEL-RBJUHRAPSA-N
InChi (Click to copy)
InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-4-2)23-24(27)21-22-26(28)29/h9-10,21-22,25H,3-8,11-20,23H2,1-2H3,(H,28,29)/b10-9-,22-21+
SMILES (Click to copy)
C(/C=C/C(=O)CC(OCC)CCCCCCCCCC/C=C\CCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Endiandra
(#128617)
Magnoliopsida
(#3398)
Insignoic acids A - E, unusual α, β-unsaturated keto fatty acids isolated from the exocarp of Australian rainforest tree Endiandra insignis (Lauraceae).,
Fitoterapia, 2023
Fitoterapia, 2023
Pubmed ID:
38168569
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
Aromatic Rings
Rotatable Bonds
22
Van der Waals Molecular Volume
482.96
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
7.99
Molar Refractivity
126.88
Admin
Created at
11th Jan 2024
Updated at
11th Jan 2024