Structure Database (LMSD)

Systematic Name
5-Hydroxy-6,2'-dimethoxyflavone
Synonyms
LM ID
LMPK12110085
Formula
C17H14O5
Exact Mass
Calculate m/z
298.084125
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
KTMCMVHTHBYQQS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-20-12-6-4-3-5-10(12)15-9-11(18)16-13(22-15)7-8-14(21-2)17(16)19/h3-9,19H,1-2H3
SMILES (Click to copy)
C1=CC2OC(C3C=CC=CC=3OC)=CC(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL3F98NS0006
PubChem CID
14484691

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 255.71
Topological Polar Surface Area 68.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 4.08
Molar Refractivity 82.80

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Updated at
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