Structure Database (LMSD)

O OH OH HO O
Systematic Name
2',4',6'-Trihydroxy-4-methoxydihydrochalcone
Synonyms
LM ID
LMPK12120528
Formula
C16H16O5
Exact Mass
Calculate m/z
288.099775
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)
YQNPVOBVGNGYHD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H16O5/c1-21-12-5-2-10(3-6-12)4-7-13(18)16-14(19)8-11(17)9-15(16)20/h2-3,5-6,8-9,17,19-20H,4,7H2,1H3
SMILES (Click to copy)
C1(O)C=C(O)C(C(=O)CCC2C=CC(OC)=CC=2)=C(O)C=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
184470
METABOLOMICS ID
FL1DABNS0001
PubChem CID
3086055

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 264.31
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.63
Molar Refractivity 77.08

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Updated at
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