Structure Database (LMSD)

O OH OH OH O
Systematic Name
4,2',6'-Trihydroxy-4'-prenyloxychalcone
Synonyms
LM ID
LMPK12120256
Formula
C20H20O5
Exact Mass
Calculate m/z
340.131075
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)
BILMOTALDYGIKT-VMPITWQZSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-13(2)9-10-25-16-11-18(23)20(19(24)12-16)17(22)8-5-14-3-6-15(21)7-4-14/h3-9,11-12,21,23-24H,10H2,1-2H3/b8-5+
SMILES (Click to copy)
C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=CC(OC/C=C(\C)/C)=CC=1O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CAANI0001
PubChem CID
42607608

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 328.23
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.33
Molar Refractivity 96.66

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Updated at
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