Structure Database (LMSD)

Common Name
Kuraridin
Systematic Name
Synonyms
LM ID
LMPK12120282
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]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PIAPWPAWQGDOMN-PKNBQFBNSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29/h6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3/b11-9+
SMILES (Click to copy)
C1=CC(O)=CC(O)=C1/C=C/C(=O)C1C(O)=C(CC(C(=C)C)C/C=C(\C)/C)C(O)=CC=1OC

Other Databases

METABOLOMICS ID
FL1CALNI0002
PubChem CID
9954815

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 2
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 438.18
Topological Polar Surface Area 107.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.50
Molar Refractivity 125.52

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Updated at
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