Structure Database (LMSD)

Systematic Name
5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
Synonyms
LM ID
LMPK12110178
Formula
C20H16O4
Exact Mass
Calculate m/z
320.10486
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)
VCUYDJLATCCAGU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O4/c1-20(2)9-8-13-17(24-20)11-15(22)18-14(21)10-16(23-19(13)18)12-6-4-3-5-7-12/h3-11,22H,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)=CC(=O)C=1C(O)=C2

Other Databases

METABOLOMICS ID
FL3FA9NP0001
PubChem CID
15383190

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 283.82
Topological Polar Surface Area 61.74
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.54
Molar Refractivity 93.95

Admin

Created at
-
Updated at
-