Structure Database (LMSD)

Common Name
Euchrenone a16
Systematic Name
5,7-Dihydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':4',3']flavanone
Synonyms
LM ID
LMPK12140319
Formula
C25H28O5
Exact Mass
Calculate m/z
408.193675
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)
UUJGHXKKHDPLPR-QFIPXVFZSA-N
InChi (Click to copy)
InChI=1S/C25H28O5/c1-14(2)5-7-17-18(26)12-19(27)23-20(28)13-22(29-24(17)23)15-6-8-21-16(11-15)9-10-25(3,4)30-21/h5-6,8,11-12,22,26-27H,7,9-10,13H2,1-4H3/t22-/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(O)=C1

Other Databases

METABOLOMICS ID
FL2FAANP0014
PubChem CID
636551

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 392.65
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.70
Molar Refractivity 115.21

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Updated at
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