Structure Database (LMSD)

Common Name
Kurarinone
Systematic Name
7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone
Synonyms
LM ID
LMPK12140499
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
LTTQKYMNTNISSZ-MWTRTKDXSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,23+/m1/s1
SMILES (Click to copy)
C1(O)C(C[C@H](C(C)=C)C/C=C(/C)\C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(OC)C=1

References

Taxonomy Information

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

Other Databases

KEGG ID
C17446
CHEBI ID
66150
METABOLOMICS ID
FL2FALNI0038
PubChem CID
11982640
PDB ID
J0U

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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Created at
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Updated at
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