Structure Database (LMSD)

Common Name
[1-hydroxyhexyl]-2H-furan-2-one
Systematic Name
5R-hydroxy-4R-decanolide
Synonyms
LM ID
LMFA07040120
Formula
C10H18O3
Exact Mass
Calculate m/z
186.125595
Sum Composition
FA 10:1;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
Isolona cooperi (#306964)
Magnoliopsida (#3398)
Apoprunellelactone (APL), an antiprotozoal lactone from the stem barks of Isolona cooperi Hutch. & Dalziel (Annonaceae).,
Nat Prod Res, 2020
Pubmed ID: 32551938

String Representations

InChiKey (Click to copy)
WPWMAIDTZPLUGB-RKDXNWHRSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c1-2-3-4-5-8(11)9-6-7-10(12)13-9/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
SMILES (Click to copy)
[C@H]1([C@H](O)CCCCC)CCC(=O)O1

Other Databases

PubChem CID
11126989

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 192.93
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.21
Molar Refractivity 50.29

Admin

Created at
19th Jun 2020
Updated at
4th Feb 2021