Structure Database (LMSD)

O O O OH O
Common Name
Flavokawin A
Systematic Name
2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone
Synonyms
  • Flavokawine A
LM ID
LMPK12120550
Formula
C18H20O5
Exact Mass
Calculate m/z
316.131075
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)
KGFYDIZALLKOLQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-5,7-8,10-11,20H,6,9H2,1-3H3
SMILES (Click to copy)
C1(OC)C=C(O)C(C(=O)CCC2C=CC(OC)=CC=2)=C(OC)C=1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0140276
METABOLOMICS ID
FL1DDBNS0001
PubChem CID
270057

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 298.91
Topological Polar Surface Area 64.99
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.23
Molar Refractivity 86.86

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Updated at
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