Structure Database (LMSD)

Common Name
Isokurarinone
Systematic Name
Synonyms
LM ID
LMPK12140464
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
HBGUTBHLNQISCQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-20(28)12-24-25(26(19)30)21(29)13-23(32-24)18-9-8-17(27)11-22(18)31-5/h6,8-9,11-12,16,23,27-28,30H,3,7,10,13H2,1-2,4-5H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C(OC)=CC(O)=CC=3)CC(=O)C=2C(O)=C1CC(C(C)=C)C/C=C(/C)\C

Other Databases

METABOLOMICS ID
FL2FALNI0003
PubChem CID
13872451

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 428.46
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.61
Molar Refractivity 122.80

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Updated at
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