Structure Database (LMSD)
Common Name
8-oxogeranial
Systematic Name
2,6-dimethylocta-2E,6E-dienedial
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 8-oxogeranial
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Centaurium erythraea
(#172057)
Magnoliopsida
(#3398)
Organ-specific and genotype-dependent constitutive biosynthesis of secoiridoid glucosides in Centaurium erythraea Rafn, and its elicitation with methyl jasmonate.,
Phytochemistry, 2018
Phytochemistry, 2018
Pubmed ID:
30077897
String Representations
InChiKey (Click to copy)
GRHWFPUCRVCMRY-TXFIJWAUSA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+
SMILES (Click to copy)
C(/C)(=C/C=O)\CC/C=C(\C)/C=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
Aromatic Rings
Rotatable Bonds
5
Van der Waals Molecular Volume
188.58
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
2.06
Molar Refractivity
48.88
Admin
Created at
9th Jul 2023
Updated at
31st Jul 2023