Structure Database (LMSD)

Systematic Name
2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone
Synonyms
LM ID
LMPK12120480
Formula
C23H22O5
Exact Mass
Calculate m/z
378.146725
Status
Active
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)
JTSWCJCEJKEHGN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H22O5/c1-28-21-14-20(26)22(19(25)12-11-15-7-3-2-4-8-15)23(27)17(21)13-16-9-5-6-10-18(16)24/h2-10,14,24,26-27H,11-13H2,1H3
SMILES (Click to copy)
C1(OC)C(CC2C=CC=CC=2O)=C(O)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1

Other Databases

CHEBI ID
178985
METABOLOMICS ID
FL1DA9NC0014
PubChem CID
10362270

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 354.23
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.22
Molar Refractivity 106.33

Admin

Created at
-
Updated at
-