Structure Database (LMSD)

Common Name
6-(1,1-Dimethylallyl)genistein
Systematic Name
Synonyms
LM ID
LMPK12050189
Formula
C20H18O5
Exact Mass
Calculate m/z
338.115425
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)
QHOGIWOAXCXNES-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O5/c1-4-20(2,3)17-14(22)9-15-16(19(17)24)18(23)13(10-25-15)11-5-7-12(21)8-6-11/h4-10,21-22,24H,1H2,2-3H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C(O)=C1C(C)(C)C=C

Other Databases

METABOLOMICS ID
FLIAAANI0002
PubChem CID
44257285

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 304.97
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.94
Molar Refractivity 96.25

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Updated at
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