Structure Database (LMSD)

O O O O O
Common Name
Ponganone VII
Systematic Name
2',4'-Dimethoxy-3,4-methylenedioxydihydrochalcone
Synonyms
LM ID
LMPK12120461
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
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)
YPJDWRMBYIHNFK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-20-13-5-6-14(17(10-13)21-2)15(19)7-3-12-4-8-16-18(9-12)23-11-22-16/h4-6,8-10H,3,7,11H2,1-2H3
SMILES (Click to copy)
C1(OC)C=C(OC)C(C(=O)CCC2C=C3OCOC3=CC=2)=CC=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1D1CNS0004
PubChem CID
14542455

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 286.55
Topological Polar Surface Area 58.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.25
Molar Refractivity 84.76

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Updated at
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