Structure Database (LMSD)

O O O O OH O
Common Name
Glabrachalcone
Systematic Name
Synonyms
LM ID
LMPK12120127
Formula
C23H24O6
Exact Mass
Calculate m/z
396.15729
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
JNBKPNKHWDVXRA-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C23H24O6/c1-23(2)11-10-16-18(29-23)9-7-15(22(16)25)17(24)8-6-14-12-20(27-4)21(28-5)13-19(14)26-3/h6-13,25H,1-5H3/b8-6+
SMILES (Click to copy)
C1=C(OC)C(OC)=CC(OC)=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=CC=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C1LNP0002
PubChem CID
42607548

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 376.56
Topological Polar Surface Area 76.29
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.78
Molar Refractivity 111.82

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Updated at
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