Structure Database (LMSD)

O OH OH OH HO O
Common Name
4,2',4',6'-Tetrahydroxy-3-methoxychalcone
Systematic Name
Synonyms
LM ID
LMPK12120274
Formula
C16H14O6
Exact Mass
Calculate m/z
302.07904
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)
WQWVIIRCVOZVPN-HWKANZROSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-22-15-6-9(2-4-11(15)18)3-5-12(19)16-13(20)7-10(17)8-14(16)21/h2-8,17-18,20-21H,1H3/b5-3+
SMILES (Click to copy)
C1(O)=CC(O)=C(C(=O)/C=C/C2C=CC(O)=C(OC)C=2)C(O)=C1

References

Taxonomy Information

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

Other Databases

KEGG ID
C16405
CHEBI ID
80485
METABOLOMICS ID
FL1CADNS0001
PubChem CID
21117850

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 270.46
Topological Polar Surface Area 107.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.41
Molar Refractivity 79.46

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Updated at
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