Structure Database (LMSD)

Common Name
Dorspoinsettifolin
Systematic Name
4'-Methoxy-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone
Synonyms
LM ID
LMPK12140056
Formula
C21H20O4
Exact Mass
Calculate m/z
336.13616
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
WCVZOMYIGNKERA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O4/c1-21(2)11-10-16-18(25-21)9-8-15-17(22)12-19(24-20(15)16)13-4-6-14(23-3)7-5-13/h4-11,19H,12H2,1-3H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC(OC)=CC=3)CC(=O)C=1C=C2

Other Databases

CHEBI ID
180255
METABOLOMICS ID
FL2F1ANP0007
PubChem CID
12109666

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 314.66
Topological Polar Surface Area 48.90
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 4.87
Molar Refractivity 96.01

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Updated at
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