Structure Database (LMSD)

Systematic Name
2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone
Synonyms
LM ID
LMPK12120565
Formula
C18H18O7
Exact Mass
Calculate m/z
346.105255
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)
LMGOCPVZRGMLEJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O7/c1-22-11-6-3-10(4-7-11)5-8-12(19)13-14(20)16(23-2)18-17(15(13)21)24-9-25-18/h3-4,6-7,20-21H,5,8-9H2,1-2H3
SMILES (Click to copy)
C12OCOC=1C(O)=C(C(=O)CCC1C=CC(OC)=CC=1)C(O)=C2OC

Other Databases

CHEBI ID
196392
METABOLOMICS ID
FL1DGANS0001
PubChem CID
42607718

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 304.13
Topological Polar Surface Area 98.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 2.66
Molar Refractivity 88.09

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Updated at
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