Structure Database (LMSD)

Systematic Name
2,4,4'-Trihydroxydihydrochalcone
Synonyms
LM ID
LMPK12120606
Formula
Exact Mass
Calculate m/z
258.08921
Status
Active

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
IVBQZFJZIGYXMK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H14O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-3,5-7,9,16-17,19H,4,8H2
SMILES (Click to copy)
C1(O)C=CC(C(=O)CCC2C(O)=CC(O)=CC=2)=CC=1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 238.22
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 2.62
Molar Refractivity 70.53

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Updated at
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