Structure Database (LMSD)

Common Name
Kuwanone S
Systematic Name
Kuwanon S
Synonyms
  • 2-[3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
LM ID
LMPK12110411
Formula
C25H26O5
Exact Mass
Calculate m/z
406.178025
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)
UXXAQCSTQAIKEM-FRKPEAEDSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-8-17-11-18(9-10-20(17)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h5,7,9-14,26-28H,4,6,8H2,1-3H3/b16-7+
SMILES (Click to copy)
C1(O)=CC(O)=CC2OC(C3C=CC(O)=C(C/C=C(/CC/C=C(/C)\C)\C)C=3)=CC(=O)C1=2

Other Databases

METABOLOMICS ID
FL3FAANI0003
PubChem CID
6450924

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 388.83
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 6.71
Molar Refractivity 119.15

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Updated at
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