Structure Database (LMSD)

Common Name
Glycyrrhisoflavanone
Systematic Name
Synonyms
LM ID
LMPK12050506
Formula
C21H20O6
Exact Mass
Calculate m/z
368.12599
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)
OTJMSWBNEUNNEW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O6/c1-21(2)5-4-11-6-12(7-15(23)20(11)27-21)14-10-26-17-9-13(22)8-16(25-3)18(17)19(14)24/h4-9,14,22-23H,10H2,1-3H3
SMILES (Click to copy)
C1(O)C=C(OC)C2C(=O)C(C3=CC(O)=C4OC(C)(C)C=CC4=C3)COC=2C=1

Other Databases

METABOLOMICS ID
FLIBBCNP0001
PubChem CID
5317762

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 332.24
Topological Polar Surface Area 89.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 4.22
Molar Refractivity 100.08

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Updated at
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