Structure Database (LMSD)

Common Name
Ponganone VIII
Systematic Name
3-(1,3-Benzodioxol-5-yl)-1-(5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-methoxy-1-propanone
Synonyms
LM ID
LMPK12120585
Formula
C24H26O7
Exact Mass
Calculate m/z
426.167855
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)
UETHJWQOQPORJI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H26O7/c1-24(2)9-8-15-22(28-5)16(11-21(27-4)23(15)31-24)17(25)12-19(26-3)14-6-7-18-20(10-14)30-13-29-18/h6-11,19H,12-13H2,1-5H3
SMILES (Click to copy)
C1(OC)=CC(C(=O)CC(C2C=C3OCOC3=CC=2)OC)=C(OC)C2C=CC(C)(C)OC1=2

Other Databases

METABOLOMICS ID
FL1DHYNP0001
PubChem CID
15160709

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 392.93
Topological Polar Surface Area 78.66
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.86
Molar Refractivity 115.06

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Updated at
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