Structure Database (LMSD)

Common Name
Euchrenone b5
Systematic Name
5,7,2'-Trihydroxy-4',5'-methylenedioxy-6,8-diprenylisoflavone
Synonyms
LM ID
LMPK12050305
Formula
C26H26O7
Exact Mass
Calculate m/z
450.167855
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BMFWISRQQUCVKR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H26O7/c1-13(2)5-7-15-23(28)16(8-6-14(3)4)26-22(24(15)29)25(30)18(11-31-26)17-9-20-21(10-19(17)27)33-12-32-20/h5-6,9-11,27-29H,7-8,12H2,1-4H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=C(O)C=C4OCOC4=C3)=COC=2C=1C/C=C(/C)\C

Other Databases

METABOLOMICS ID
FLIAALNI0020
PubChem CID
14284692

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 411.35
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 6.22
Molar Refractivity 125.42

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Updated at
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