Structure Database (LMSD)

Common Name
8-(1,1-Dimethylallyl)galangin
Systematic Name
3,5,7-Trihydroxy-8-(1,1-dimethylprop-2-en-1-yl)flavone
Synonyms
LM ID
LMPK12111641
Formula
C20H18O5
Exact Mass
Calculate m/z
338.115425
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)
VEXSVXVQCSMKRX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O5/c1-4-20(2,3)15-13(22)10-12(21)14-16(23)17(24)18(25-19(14)15)11-8-6-5-7-9-11/h4-10,21-22,24H,1H2,2-3H3
SMILES (Click to copy)
C1(O)=C(C(C=C)(C)C)C2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

KEGG ID
C11581
CHEBI ID
2303
METABOLOMICS ID
FL5FA9NI0003
PubChem CID
5281950

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 304.97
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.94
Molar Refractivity 96.25

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Updated at
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