Structure Database (LMSD)

Systematic Name
6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
Synonyms
LM ID
LMPK12110041
Formula
C21H16O5
Exact Mass
Calculate m/z
348.099775
Status
Active
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)
VTEDSEHLMNTMAV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H16O5/c1-21(2)8-7-14-16(26-21)6-4-13-15(22)10-18(25-20(13)14)12-3-5-17-19(9-12)24-11-23-17/h3-10H,11H2,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC4OCOC=4C=3)=CC(=O)C=1C=C2

Other Databases

CHEBI ID
186845
METABOLOMICS ID
FL3F1CNP0001
PubChem CID
10991656

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 297.55
Topological Polar Surface Area 64.11
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.56
Molar Refractivity 98.40

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Updated at
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