Structure Database (LMSD)

HO OH OH O O
Common Name
Genistein
Systematic Name
Synonyms
  • Prunetol
LM ID
LMPK12050218
Formula
C15H10O5
Exact Mass
Calculate m/z
270.052825
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View ion mobility data

Main

Classification

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

String Representations

InChiKey (Click to copy)
TZBJGXHYKVUXJN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
SMILES (Click to copy)
C1(O)=CC2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C(O)=C1

References

Taxonomy Information

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

Other Databases

Wikipedia
Genistein
KEGG ID
C06563
HMDB ID
HMDB0003217
CHEBI ID
28088
METABOLOMICS ID
FLIAAANS0001
PubChem CID
5280961
Cayman ID
10005167
PDB ID
GEN
GuidePharm ID
2826

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 221.11
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.48
Molar Refractivity 73.02

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Updated at
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