Structure Database (LMSD)

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

Classification

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

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

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

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

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Created at
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Updated at
4th Feb 2022