Structure Database (LMSD)

Common Name
Leucanthogenin
Systematic Name
5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone
Synonyms
LM ID
LMPK12111483
Formula
C17H14O8
Exact Mass
Calculate m/z
346.06887
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)
VZNIMRVJHRTTKA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O8/c1-23-16-13(21)12-10(20)6-11(7-3-4-8(18)9(19)5-7)25-15(12)14(22)17(16)24-2/h3-6,18-19,21-22H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=C(O)C=3)OC=1C(O)=C(OC)C(OC)=C2O

Other Databases

METABOLOMICS ID
FL3FGCNS0016
PubChem CID
15224752

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 282.08
Topological Polar Surface Area 129.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.20
Molar Refractivity 87.79

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Updated at
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