Structure Database (LMSD)

Common Name
Baicalein 5,6-dimethyl ether
Systematic Name
7-Hydroxy-5,6-Dimethoxyflavone
Synonyms
LM ID
LMPK12111098
Formula
C17H14O5
Exact Mass
Calculate m/z
298.084125
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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

Other Databases

HMDB ID
HMDB0128582
METABOLOMICS ID
FL3FE9NS0004
PubChem CID
5481647

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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