Structure Database (LMSD)

O O O O
Systematic Name
7,8-Dimethoxyflavanone
Synonyms
LM ID
LMPK12140090
Formula
C17H16O4
Exact Mass
Calculate m/z
284.10486
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
FBVLIZHTSCLZRG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O4/c1-19-14-9-8-12-13(18)10-15(11-6-4-3-5-7-11)21-16(12)17(14)20-2/h3-9,15H,10H2,1-2H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)CC(=O)C=2C=C1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0133298
METABOLOMICS ID
FL2F39NS0002
PubChem CID
15458308

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 260.46
Topological Polar Surface Area 46.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.41
Molar Refractivity 78.30

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Updated at
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