Structure Database (LMSD)

Common Name
Dinklagin A
Systematic Name
7-Hydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Synonyms
LM ID
LMPK12140057
Formula
C25H26O4
Exact Mass
Calculate m/z
390.18311
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)
XPMXYEFQBQWMEC-QHCPKHFHSA-N
InChi (Click to copy)
InChI=1S/C25H26O4/c1-15(2)5-6-16-12-19-21(27)14-23(28-24(19)13-20(16)26)17-7-8-22-18(11-17)9-10-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3/t23-/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=CC4OC(C)(C)C=CC=4C=3)CC(=O)C=2C=C1C/C=C(/C)\C

Other Databases

METABOLOMICS ID
FL2F1ANP0008
PubChem CID
636494

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 381.22
Topological Polar Surface Area 59.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.08
Molar Refractivity 114.25

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Updated at
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