Structure Database (LMSD)
Common Name
Lecanoric acid
Systematic Name
4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid
Synonyms
- Orsellinate depside
3D model of Lecanoric acid
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)
HEMSJKZDHNSSEW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)
SMILES (Click to copy)
C1(C(O)=CC(O)=CC=1C)C(=O)OC1C=C(C(C(=O)O)=C(C)C=1)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Umbilicaria antarctica
(#87272)
Lecanoromycetes
(#147547)
Lecanoric acid, a secondary lichen substance with antioxidant properties from Umbilicaria antarctica in maritime Antarctica (King George Island),
Polar Biol, 2009
Polar Biol, 2009
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
2
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
279.25
Topological Polar Surface Area
124.29
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
2.34
Molar Refractivity
79.27
Admin
Created at
-
Updated at
4th Feb 2022