Structure Database (LMSD)

Systematic Name
5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
Synonyms
LM ID
LMPK12110964
Formula
C22H18O6
Exact Mass
Calculate m/z
378.11034
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
VBBTVIKDQHQKQY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H18O6/c1-22(2)7-6-13-17(28-22)10-19(24-3)20-14(23)9-16(27-21(13)20)12-4-5-15-18(8-12)26-11-25-15/h4-10H,11H2,1-3H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC4OCOC=4C=3)=CC(=O)C=1C(OC)=C2

Other Databases

METABOLOMICS ID
FL3FBCNP0001
PubChem CID
14033976

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 323.64
Topological Polar Surface Area 73.34
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 5.57
Molar Refractivity 104.96

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Updated at
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