Structure Database (LMSD)

O OH O O O O
Systematic Name
5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone
Synonyms
LM ID
LMPK12120141
Formula
C19H14O6
Exact Mass
Calculate m/z
338.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
YNUGACKHHNAYKR-DUXPYHPUSA-N
InChi (Click to copy)
InChI=1S/C19H14O6/c1-22-18-12-6-7-23-19(12)15(21)9-13(18)14(20)4-2-11-3-5-16-17(8-11)25-10-24-16/h2-9,21H,10H2,1H3/b4-2+
SMILES (Click to copy)
C12OC=CC1=C(OC)C(C(=O)/C=C/C1C=CC3OCOC=3C=1)=CC=2O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C2CNF0001
PubChem CID
42607553

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 284.10
Topological Polar Surface Area 82.27
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.77
Molar Refractivity 90.36

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Updated at
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