Structure Database (LMSD)

O O HO OH HO OH O OH HO O
Common Name
4-Methoxyphlorizin
Systematic Name
2',4',6'-Trihydroxy-4-methoxydihydrochalcone 2'-O-glucoside
Synonyms
LM ID
LMPK12120526
Formula
C22H26O10
Exact Mass
Calculate m/z
450.1526
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)
GOTAZLUFLPHQJU-MIUGBVLSSA-N
InChi (Click to copy)
InChI=1S/C22H26O10/c1-30-13-5-2-11(3-6-13)4-7-14(25)18-15(26)8-12(24)9-16(18)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19-24,26-29H,4,7,10H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES (Click to copy)
C1(O)C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(C(=O)CCC2C=CC(OC)=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

METABOLOMICS ID
FL1DABGS0001
PubChem CID
25799413

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 399.70
Topological Polar Surface Area 168.21
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 1.82
Molar Refractivity 112.86

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Created at
-
Updated at
23rd Sep 2021