Structure Database (LMSD)

Systematic Name
2',6'-Dihydroxy-4'-prenyloxydihydrochalcone
Synonyms
LM ID
LMPK12120484
Formula
C20H22O4
Exact Mass
Calculate m/z
326.15181
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ROEMBGXPFRKXKV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H22O4/c1-14(2)10-11-24-16-12-18(22)20(19(23)13-16)17(21)9-8-15-6-4-3-5-7-15/h3-7,10,12-13,22-23H,8-9,11H2,1-2H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)C=C(O)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1

Other Databases

CHEBI ID
178219
METABOLOMICS ID
FL1DA9NI0003
PubChem CID
42607678

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 322.08
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.54
Molar Refractivity 94.28

Admin

Created at
-
Updated at
-