Structure Database (LMSD)

Systematic Name
5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone
Synonyms
LM ID
LMPK12113021
Formula
C18H14O8
Exact Mass
Calculate m/z
358.06887
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
QDUQFPNXGXDSQJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O8/c1-22-10-5-8(3-4-9(10)19)16-18(23-2)15(21)13-11(26-16)6-12-17(14(13)20)25-7-24-12/h3-6,19-20H,7H2,1-2H3
SMILES (Click to copy)
C12OCOC1=C(O)C1C(=O)C(OC)=C(C3C=C(OC)C(O)=CC=3)OC=1C=2

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0029272
CHEBI ID
140081
METABOLOMICS ID
FL5FECNS0040
PubChem CID
44259873

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 287.02
Topological Polar Surface Area 111.73
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.52
Molar Refractivity 90.58

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Created at
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Updated at
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