Structure Database (LMSD)

O HO O O
Common Name
Euchrenone a17
Systematic Name
7-Hydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':4',3']flavanone
Synonyms
LM ID
LMPK12140059
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
MYPVPAHTULTGQA-QHCPKHFHSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-15(2)5-7-18-20(26)9-8-19-21(27)14-23(28-24(18)19)16-6-10-22-17(13-16)11-12-25(3,4)29-22/h5-6,8-10,13,23,26H,7,11-12,14H2,1-4H3/t23-/m0/s1
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2O[C@H](C3C=CC4OC(C)(C)CCC=4C=3)CC(=O)C=2C=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2F1ANP0010
PubChem CID
42607819

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 383.86
Topological Polar Surface Area 59.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.00
Molar Refractivity 113.54

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Updated at
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