Structure Database (LMSD)

O O O O HO OH O
Systematic Name
2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone
Synonyms
LM ID
LMPK12120364
Formula
C19H20O7
Exact Mass
Calculate m/z
360.120905
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)
GAAWSCXYZOMCME-JXMROGBWSA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-23-12-8-5-11(6-9-12)7-10-13(20)14-15(21)18(25-3)19(26-4)16(22)17(14)24-2/h5-10,21-22H,1-4H3/b10-7+
SMILES (Click to copy)
C1(OC)=C(O)C(OC)=C(C(=O)/C=C/C2C=CC(OC)=CC=2)C(O)=C1OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CGANS0001
PubChem CID
42607634

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 331.15
Topological Polar Surface Area 94.45
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 3.03
Molar Refractivity 95.79

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Updated at
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