Structure Database (LMSD)

OH HO OH OH O
Systematic Name
2,4,2',4'-Tetrahydroxychalcone
Synonyms
LM ID
LMPK12120128
Formula
C15H12O5
Exact Mass
Calculate m/z
272.068475
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)
ZWTDXYUDJYDHJR-QHHAFSJGSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+
SMILES (Click to copy)
C1(O)=CC=C(C(=O)/C=C/C2C=CC(O)=CC=2O)C(O)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C1LNS0001
PubChem CID
10107266

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 244.37
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.41
Molar Refractivity 72.91

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Updated at
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