Structure Database (LMSD)

Common Name
Sophoraisoflavanone B
Systematic Name
Synonyms
LM ID
LMPK12050483
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
MRDKKAPKIDYPSM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-14(2)6-8-16-10-18(21(28)11-22(16)31-5)19-13-32-23-12-20(27)17(9-7-15(3)4)25(29)24(23)26(19)30/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC(C/C=C(/C)\C)=C(OC)C=C3O)C(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

CHEBI ID
140095
METABOLOMICS ID
FLIBALNI0005
PubChem CID
44257387

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 428.46
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.47
Molar Refractivity 123.76

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Updated at
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