Structure Database (LMSD)
Common Name
8-hydroxy-oxogeraniol
Systematic Name
2,6-dimethylocta-2E,6E-diene-1,8-diol
Synonyms
3D model of 8-hydroxy-oxogeraniol
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
Level 4 Class
String Representations
InChiKey (Click to copy)
PREUOUJFXMCMSJ-TXFIJWAUSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+
SMILES (Click to copy)
C(/C)(=C/CO)\CC/C=C(\C)/CO
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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
Aromatic Rings
Rotatable Bonds
5
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
2.21
Molar Refractivity
51.90
Admin
Created at
9th Jul 2023
Updated at
10th Jul 2023