Structure Database (LMSD)

Common Name
Omphalotol A
Systematic Name
13R-hydroxy-8-oxo-octadeca-9E,11E-dienoic acid
Synonyms
LM ID
LMFA02000390
Status
Active
Exact Mass
Calculate m/z
310.21441
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HAENZAKQJHHPIT-BRKJJSFFSA-N
InChi (Click to copy)
InChI=1S/C18H30O4/c1-2-3-6-11-16(19)13-9-10-14-17(20)12-7-4-5-8-15-18(21)22/h9-10,13-14,16,19H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+/t16-/m1/s1
SMILES (Click to copy)
C(CCCCCCC(=O)/C=C/C=C/[C@H](O)CCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Omphalotus japonicus (#72119)
Agaricomycetes (#155619)
Two New Fatty Acid Derivatives, Omphalotols A and B and Anti-Helicobacter pylori Fatty Acid Derivatives from Poisonous Mushroom Omphalotus japonicus.,
Pharmaceuticals (Basel), 2022
Pubmed ID: 35215253

Calculated Physicochemical Properties

Heavy Atoms 22
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 344.56
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.32
Molar Refractivity 89.29

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Created at
13th Mar 2022
Updated at
13th Mar 2022