Structure Database (LMSD)

Systematic Name
7-Methoxy-2-methylisoflavone
Synonyms
LM ID
LMPK12050002
Formula
C17H14O3
Exact Mass
Calculate m/z
266.094295
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
XRGWZIGGCNSFRY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C)=C(C3C=CC=CC=3)C(=O)C=2C=C1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0033980
CHEBI ID
172507
METABOLOMICS ID
FLIA19NM0002
PubChem CID
354368

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 238.13
Topological Polar Surface Area 39.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 4.68
Molar Refractivity 79.32

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Updated at
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