Structure Database (LMSD)
Common Name
Stenosporic acid
Systematic Name
2-hydroxy-4-[(2-hydroxy-4-methoxy-6-propylbenzoyloxy)]-6-pentylbenzoic acid
Synonyms
3D model of Stenosporic 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)
XZVFRLDHIHBLGT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H28O7/c1-4-6-7-9-15-11-17(13-18(24)20(15)22(26)27)30-23(28)21-14(8-5-2)10-16(29-3)12-19(21)25/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)
SMILES (Click to copy)
C1(C(O)=CC(OC)=CC=1CCC)C(=O)OC1C=C(C(C(=O)O)=C(CCCCC)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
30
Rings
2
Aromatic Rings
2
Rotatable Bonds
11
Van der Waals Molecular Volume
400.35
Topological Polar Surface Area
113.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
4.71
Molar Refractivity
111.91
Admin
Created at
4th Feb 2022
Updated at
6th Feb 2022