Structure Database (LMSD)

Common Name
Sophoraisoflavone A
Systematic Name
Synonyms
  • Allolicoisoflavone B
LM ID
LMPK12050319
Formula
C20H16O6
Exact Mass
Calculate m/z
352.09469
Status
Curated
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)
RIDRQWKYWXHAOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O6/c1-20(2)6-5-12-14(22)4-3-11(19(12)26-20)13-9-25-16-8-10(21)7-15(23)17(16)18(13)24/h3-9,21-23H,1-2H3
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=C4OC(C)(C)C=CC4=C(O)C=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIAALNP0012
PubChem CID
10383349

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 301.40
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.95
Molar Refractivity 97.28

Admin

Created at
-
Updated at
-