Structure Database (LMSD)

Common Name
Kanzonol E
Systematic Name
Synonyms
LM ID
LMPK12110034
Formula
C25H24O4
Exact Mass
Calculate m/z
388.16746
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YQCBVKUBTQVHOT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O4/c1-15(2)5-6-16-12-19-21(27)14-23(28-24(19)13-20(16)26)17-7-8-22-18(11-17)9-10-25(3,4)29-22/h5,7-14,26H,6H2,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC4OC(C)(C)C=CC=4C=3)=CC(=O)C=2C=C1C/C=C(\C)/C

Other Databases

CHEBI ID
168765
METABOLOMICS ID
FL3F1ANP0001
PubChem CID
15516846

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 367.68
Topological Polar Surface Area 61.74
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 7.04
Molar Refractivity 117.08

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Updated at
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