Structure Database (LMSD)

Common Name
Maximaisoflavone F
Systematic Name
7-Hydroxy-8,2'-dimethoxy-4',5'-methylenedioxyisoflavonel
Synonyms
LM ID
LMPK12050148
Formula
C18H14O7
Exact Mass
Calculate m/z
342.073955
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
MPLGRIORGZXXTG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O7/c1-21-13-6-15-14(24-8-25-15)5-10(13)11-7-23-17-9(16(11)20)3-4-12(19)18(17)22-2/h3-7,19H,8H2,1-2H3
SMILES (Click to copy)
C1(O)C=CC2C(=O)C(C3=C(OC)C=C4OCOC4=C3)=COC=2C=1OC

Other Databases

METABOLOMICS ID
FLIA3LNS0002
PubChem CID
21676205

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 278.23
Topological Polar Surface Area 91.50
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.81
Molar Refractivity 88.92

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Updated at
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