Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,2'-dimethoxyflavone
Synonyms
LM ID
LMPK12110129
Formula
Exact Mass
Calculate m/z
298.084125
Status
Active

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
AYJUELGFLABMLR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-20-10-7-12(18)17-13(19)9-15(22-16(17)8-10)11-5-3-4-6-14(11)21-2/h3-9,18H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3OC)OC=1C=C(OC)C=C2O

Other Databases

METABOLOMICS ID
PubChem CID

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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