Structure Database (LMSD)

Systematic Name
4,6,4'-Trihydroxyaurone
Synonyms
LM ID
LMPK12130031
Status
Active
Exact Mass
Calculate m/z
270.052825
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ACGXIFQKQYZLOU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)5-13-15(19)14-11(18)6-10(17)7-12(14)20-13/h1-7,16-18H
SMILES (Click to copy)
C12C(=O)C(=CC3C=CC(O)=CC=3)OC=1C=C(O)C=C2O

References

Taxonomy Information

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

Other Databases

HMDB ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 232.01
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.42
Molar Refractivity 70.81

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Created at
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Updated at
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