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Chemical structure of Lobaric Acid

GC18789

Lobaric Acid

Also known as 3-hydroxy-9-methoxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid

Lobaric acid is a depsidone metabolite that has been isolated from Stereocaulon lichen species with antioxidant, antiproliferative, antiviral, and enzyme inhibitory activites

ChemicalCAS522-53-2MW456.5FormulaC25H28O8
CAS number
522-53-2
Molecular weight
456.5
Formula
C25H28O8
Solubility
DMF： Soluble,DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
JHEWMLHQNRHTQX-UHFFFAOYSA-N
Catalogue number
GC18789
Brand
GLPBIO
Computed properties PubChem CID 73157 · XLogP 6.1 · TPSA 119 Ų · H-bond donors 2
XLogP
6.1
TPSA
119 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
33

SMILES CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)C(=O)CCCC)OC)O)C(=O)O

Computed descriptors from PubChem (CID 73157), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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