Structure Database (LMSD)

Systematic Name
2'-Hydroxy-4',6'-dimethoxy-3'-methyldihydrochalcone
Synonyms
LM ID
LMPK12120488
Formula
C18H20O4
Exact Mass
Calculate m/z
300.13616
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)
ACLIVQJKNNTVHO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20O4/c1-12-15(21-2)11-16(22-3)17(18(12)20)14(19)10-9-13-7-5-4-6-8-13/h4-8,11,20H,9-10H2,1-3H3
SMILES (Click to copy)
C1(OC)C=C(OC)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1C

Other Databases

HMDB ID
HMDB0030755
CHEBI ID
172530
METABOLOMICS ID
FL1DA9NM0002
PubChem CID
15747330

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 290.12
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.53
Molar Refractivity 85.04

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Updated at
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