Structure Database (LMSD)
Common Name
Gyrophoric acid
Systematic Name
4-[4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoic acid
Synonyms
3D model of Gyrophoric 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)
ATQPZSQVWCPVGV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H20O10/c1-10-4-13(25)7-16(26)20(10)23(31)34-15-6-12(3)21(18(28)9-15)24(32)33-14-5-11(2)19(22(29)30)17(27)8-14/h4-9,25-28H,1-3H3,(H,29,30)
SMILES (Click to copy)
C1(C(O)=CC(O)=CC=1C)C(=O)OC1C=C(C(C(=O)OC2C=C(C(C(=O)O)=C(C)C=2)O)=C(C)C=1)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Xanthoparmelia pokornyi
(#164177)
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
34
Rings
3
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
410.20
Topological Polar Surface Area
170.82
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
logP
3.57
Molar Refractivity
117.07
Admin
Created at
4th Feb 2022
Updated at
4th Feb 2022