Structure Database (LMSD)

Common Name
Lunularic acid
Systematic Name
Synonyms
LM ID
LMPK13090038
Status
Active
Exact Mass
Calculate m/z
258.08921
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GFSQDOUEUWXRSL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H14O4/c16-12-8-5-10(6-9-12)4-7-11-2-1-3-13(17)14(11)15(18)19/h1-3,5-6,8-9,16-17H,4,7H2,(H,18,19)
SMILES (Click to copy)
C1=CC=C(CCC2=CC=C(O)C=C2)C(C(=O)O)=C1O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lunularia cruciata (#56931)
Marchantiopsida (#186770)
Lunularic acid, a common endogenous growth inhibitor of liverworts.,
Planta, 1971
Pubmed ID: 24493279

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 238.22
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 2.58
Molar Refractivity 70.58

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Created at
-
Updated at
5th Feb 2022