Structure Database (LMSD)

Systematic Name
3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone
Synonyms
LM ID
LMPK12111591
Formula
C23H20O7
Exact Mass
Calculate m/z
408.120905
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
WNOFGVICQRDQSB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H20O7/c1-23(2)8-7-13-20-14(10-17(25-3)21(13)30-23)18(24)22(26-4)19(29-20)12-5-6-15-16(9-12)28-11-27-15/h5-10H,11H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC4OCOC=4C=3)=C(OC)C(=O)C=1C=C2OC

Other Databases

METABOLOMICS ID
FL5F2CNP0001
PubChem CID
12820520

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 349.73
Topological Polar Surface Area 82.57
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 5.58
Molar Refractivity 111.51

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Updated at
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