Structure Database (LMSD)

O O O O O O
Common Name
Ponganone V
Systematic Name
7-Methoxy-6-O-prenyl-3',4'-methylenedioxyflavanone
Synonyms
LM ID
LMPK12140084
Formula
C22H22O6
Exact Mass
Calculate m/z
382.14164
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
XNGHNFHZIWCLLJ-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C22H22O6/c1-13(2)6-7-25-22-9-15-16(23)10-18(28-19(15)11-20(22)24-3)14-4-5-17-21(8-14)27-12-26-17/h4-6,8-9,11,18H,7,10,12H2,1-3H3/t18-/m0/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@H](C3C=CC4OCOC=4C=3)CC(=O)C2=CC=1OC/C=C(/C)\C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2F2CNI0001
PubChem CID
42607830

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 349.54
Topological Polar Surface Area 69.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.76
Molar Refractivity 103.29

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Updated at
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