Structure Database (LMSD)

OH OH O HO O OH O HO O O
Systematic Name
4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside
Synonyms
LM ID
LMPK12120315
Formula
C23H26O10
Exact Mass
Calculate m/z
462.1526
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)
FKCAYXGPORSWCT-VMPITWQZSA-N
InChi (Click to copy)
InChI=1S/C23H26O10/c1-30-14-9-16(26)19(17(10-14)31-2)15(25)8-5-12-3-6-13(7-4-12)32-23-22(29)21(28)20(27)18(11-24)33-23/h3-10,18,20-24,26-29H,11H2,1-2H3/b8-5+
SMILES (Click to copy)
C1(OC)C=C(OC)C(C(=O)/C=C/C2C=CC(OC3OC(CO)C(O)C(O)C3O)=CC=2)=C(O)C=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
185338
METABOLOMICS ID
FL1CDAGS0001
PubChem CID
13870531

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 414.36
Topological Polar Surface Area 157.21
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 2.20
Molar Refractivity 118.46

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Updated at
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