Structure Database (LMSD)

O O O O O OH O
Systematic Name
2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcone
Synonyms
LM ID
LMPK12120561
Formula
C20H18O7
Exact Mass
Calculate m/z
370.105255
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)
VNTLKSDVRKGNNM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O7/c1-23-19-16(17(22)12-7-8-25-18(12)20(19)24-2)13(21)5-3-11-4-6-14-15(9-11)27-10-26-14/h4,6-9,22H,3,5,10H2,1-2H3
SMILES (Click to copy)
C12OC=CC=1C(O)=C(C(=O)CCC1C=CC3OCOC=3C=1)C(OC)=C2OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1DECNF0001
PubChem CID
42607717

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 312.83
Topological Polar Surface Area 91.50
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.70
Molar Refractivity 96.20

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Updated at
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