Structure Database (LMSD)
Common Name
Omphalotol A
Systematic Name
13R-hydroxy-8-oxo-octadeca-9E,11E-dienoic acid
Synonyms
LM ID
LMFA02000390
Formula
Exact Mass
Calculate m/z
310.21441
Sum Composition
Status
Active
3D model of Omphalotol A
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
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
Pharmaceuticals (Basel), 2022
Pubmed ID:
35215253
Other Databases
PubChem CID
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
Admin
Created at
13th Mar 2022
Updated at
13th Mar 2022