Structure Database (LMSD)

Common Name
Licodione 2'-methyl ether
Systematic Name
Synonyms
LM ID
LMPK12120397
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
DMOSJPZKOKLUKK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-21-16-8-12(18)6-7-13(16)15(20)9-14(19)10-2-4-11(17)5-3-10/h2-8,17-18H,9H2,1H3
SMILES (Click to copy)
C1(O)=CC=C(C(=O)CC(=O)C2C=CC(O)=CC=2)C(OC)=C1

Other Databases

KEGG ID
C02922
CHEBI ID
15789
METABOLOMICS ID
FL1CHYNS0003
PubChem CID
439850

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 261.67
Topological Polar Surface Area 83.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.56
Molar Refractivity 76.04

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Updated at
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