Structure Database (LMSD)

Systematic Name
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Synonyms
LM ID
LMPK12110020
Formula
C20H16O3
Exact Mass
Calculate m/z
304.109945
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)
RBKWJAHRWPDNPM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-12H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1C=CC(C)(C)OC=1C=C2

Other Databases

CHEBI ID
183747
METABOLOMICS ID
FL3F19NP0001
PubChem CID
11358607

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 275.03
Topological Polar Surface Area 41.51
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 5.83
Molar Refractivity 92.28

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