Structure Database (LMSD)

Common Name
Isolinderanolide E
Systematic Name
3Z-hexadecylidene-4R-hydroxy-5-methylideneoxolan-2-one
Synonyms
LM ID
LMFA07040150
Formula
C21H36O3
Exact Mass
Calculate m/z
336.266445
Sum Composition
FA 21:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nectandra oppositifolia (#1924212)
Magnoliopsida (#3398)
Interaction of isolinderanolide E obtained from Nectandra oppositifolia with biomembrane models.,
Biochim Biophys Acta Biomembr, 2021
Pubmed ID: 34224703

String Representations

InChiKey (Click to copy)
HFEZVKMFKXUREP-BAJRHXEMSA-N
InChi (Click to copy)
InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h17,20,22H,2-16H2,1H3/b19-17-/t20-/m0/s1
SMILES (Click to copy)
O1C(=O)/C(=C\CCCCCCCCCCCCCCC)/[C@@H](O)C1=C

Other Databases

PubChem CID
15929284

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 377.95
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.11
Molar Refractivity 100.15

Admin

Created at
10th Jul 2021
Updated at
10th Jul 2021