Structure Database (LMSD)

Systematic Name
5-Hydroxy-2'-methoxyflavone
Synonyms
LM ID
LMPK12110082
Formula
C16H12O4
Exact Mass
Calculate m/z
268.07356
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OHYPQURAHPKQEA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-19-13-7-3-2-5-10(13)15-9-12(18)16-11(17)6-4-8-14(16)20-15/h2-9,17H,1H3
SMILES (Click to copy)
C1=CC2OC(C3C=CC=CC=3OC)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3F98NS0003
PubChem CID
688677

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 229.62
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 76.24

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Updated at
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