Structure Database (LMSD)

O O O O O OH O
Systematic Name
2'-Hydroxy-3',4',6',3,4-pentamethoxychalcone
Synonyms
LM ID
LMPK12120350
Formula
C20H22O7
Exact Mass
Calculate m/z
374.136555
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)
HJEVKPPOPFNTMA-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C20H22O7/c1-23-14-9-7-12(10-15(14)24-2)6-8-13(21)18-16(25-3)11-17(26-4)20(27-5)19(18)22/h6-11,22H,1-5H3/b8-6+
SMILES (Click to copy)
C1(OC)C(OC)=C(O)C(C(/C=C/C2C=C(OC)C(OC)=CC=2)=O)=C(OC)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CECNS0004
PubChem CID
10992375

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 348.45
Topological Polar Surface Area 83.45
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.33
Molar Refractivity 100.67

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Updated at
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