Structure Database (LMSD)

Common Name
Naringenin 7,4'-dimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12140574
Formula
C17H16O5
Exact Mass
Calculate m/z
300.099775
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
CKEXCBVNKRHAMX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
157737
METABOLOMICS ID
FL2FCBNS0001
PubChem CID
321346

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 269.25
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.12
Molar Refractivity 79.97

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Updated at
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