Structure Database (LMSD)

O OH OH OH OH O O
Common Name
Lecanoric acid
Systematic Name
4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid
Synonyms
  • Orsellinate depside
LM ID
LMPK13080001
Formula
C16H14O7
Exact Mass
Calculate m/z
318.073955
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Depsides and depsidones [PK1308]

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

Other Databases

KEGG ID
C02868
CHEBI ID
15871
PubChem CID
99613
Cayman ID
22710

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