Structure Database (LMSD)

Systematic Name
7,2',4',5'-Tetramethoxyisoflavone
Synonyms
LM ID
LMPK12050091
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
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)
LMCHYXAZXISBOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-11-5-6-12-16(7-11)25-10-14(19(12)20)13-8-17(23-3)18(24-4)9-15(13)22-2/h5-10H,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC=C(C3C=C(OC)C(OC)=CC=3OC)C(=O)C=2C=C1

Other Databases

METABOLOMICS ID
FLIA1LNS0011
PubChem CID
165203

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 299.10
Topological Polar Surface Area 67.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.39
Molar Refractivity 94.24

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Updated at
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