Structure Database (LMSD)

Common Name
Euchrenone b4
Systematic Name
5,7-Dihydroxy-2'-methoxy-4',5'-methylenedioxy-6,8-diprenylisoflavone
Synonyms
LM ID
LMPK12050306
Formula
C27H28O7
Exact Mass
Calculate m/z
464.183505
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)
HEWXGYZXVVKVLP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H28O7/c1-14(2)6-8-16-24(28)17(9-7-15(3)4)27-23(25(16)29)26(30)19(12-32-27)18-10-21-22(34-13-33-21)11-20(18)31-5/h6-7,10-12,28-29H,8-9,13H2,1-5H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=C(OC)C=C4OCOC4=C3)=COC=2C=1C/C=C(/C)\C

Other Databases

CHEBI ID
186291
METABOLOMICS ID
FLIAALNI0021
PubChem CID
14284691

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 428.65
Topological Polar Surface Area 102.50
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 6.53
Molar Refractivity 130.30

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Updated at
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