Structure Database (LMSD)

Systematic Name
7,2'-Dihydroxy-6,4'-dimethoxyisoflavone
Synonyms
LM ID
LMPK12050128
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
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)
RHNVSRHYVGNPEO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-9-3-4-10(13(18)5-9)12-8-23-15-7-14(19)16(22-2)6-11(15)17(12)20/h3-8,18-19H,1-2H3
SMILES (Click to copy)
C1(O)C(OC)=CC2C(=O)C(C3=C(O)C=C(OC)C=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIA2LNS0006
PubChem CID
44257255

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 264.50
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.79
Molar Refractivity 84.46

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Updated at
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