Structure Database (LMSD)

Common Name
Ponganone IV
Systematic Name
(2S)-6,3',4'-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
Synonyms
LM ID
LMPK12140086
Formula
C23H24O6
Exact Mass
Calculate m/z
396.15729
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GEIXOHJDUNAJMC-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C23H24O6/c1-23(2)9-8-14-21-15(11-20(27-5)22(14)29-23)16(24)12-18(28-21)13-6-7-17(25-3)19(10-13)26-4/h6-11,18H,12H2,1-5H3/t18-/m0/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1O[C@H](C3C=CC(OC)=C(OC)C=3)CC(=O)C=1C=C2OC

Other Databases

METABOLOMICS ID
FL2F2CNP0002
PubChem CID
15160703

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 366.84
Topological Polar Surface Area 67.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.89
Molar Refractivity 109.11

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Updated at
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