Structure Database (LMSD)

Common Name
3-Methylnaringenin
Systematic Name
Synonyms
LM ID
LMPK12140303
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]
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)
GRHSSRUEUOYZIV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-8-15(20)14-12(19)6-11(18)7-13(14)21-16(8)9-2-4-10(17)5-3-9/h2-8,16-19H,1H3
SMILES (Click to copy)
C1C(O)=CC2OC(C3C=CC(O)=CC=3)C(C)C(=O)C=2C=1O

Other Databases

CHEBI ID
178320
METABOLOMICS ID
FL2FAANM0003
PubChem CID
14756305

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 251.95
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.76
Molar Refractivity 74.74

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Updated at
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