Structure Database (LMSD)

Common Name
7-Geranylformononetin
Systematic Name
4'-Methoxy-7-geranyloxyisoflavone
Synonyms
LM ID
LMPK12050031
Formula
C26H28O4
Exact Mass
Calculate m/z
404.19876
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)
NIHAJZITTDENLE-XMHGGMMESA-N
InChi (Click to copy)
InChI=1S/C26H28O4/c1-18(2)6-5-7-19(3)14-15-29-22-12-13-23-25(16-22)30-17-24(26(23)27)20-8-10-21(28-4)11-9-20/h6,8-14,16-17H,5,7,15H2,1-4H3/b19-14+
SMILES (Click to copy)
C1(OC/C=C(/CC/C=C(/C)\C)\C)C=CC2C(=O)C(C3=CC=C(OC)C=C3)=COC=2C=1

Other Databases

CHEBI ID
187685
METABOLOMICS ID
FLIA1ANI0005
PubChem CID
14704588

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 397.34
Topological Polar Surface Area 48.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 7.72
Molar Refractivity 122.99

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Updated at
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