Structure Database (LMSD)

Systematic Name
2-(2'-trans-pentenyl-5'-hydroxy)-3-methyl-2-cyclopenten-1-one
Synonyms
LM ID
LMFA02020217
Formula
C11H16O2
Exact Mass
Calculate m/z
180.11503
Sum Composition
FOH 11:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Jasmonic acids [FA0202]
Fatty alcohols [FA05]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Litchi chinensis (#151069)
Magnoliopsida (#3398)
Pronounced anti-neuroinflammatory jasmonates and terpenes isolated from lychee seeds.,
Fitoterapia, 2021
Pubmed ID: 33984432

String Representations

InChiKey (Click to copy)
GNZGMEFSZMZQOK-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C11H16O2/c1-9-6-7-11(13)10(9)5-3-2-4-8-12/h2-3,12H,4-8H2,1H3/b3-2+
SMILES (Click to copy)
C1C(=O)C(C/C=C/CCO)=C(C)C1

Other Databases

PubChem CID
171118576

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 196.16
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.28
Molar Refractivity 52.89

Admin

Created at
7th Oct 2021
Updated at
20th Oct 2021