Structure Database (LMSD)
Common Name
Kuwanon D
Systematic Name
Synonyms
3D model of Kuwanon D
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
IJVOVAHXZFALHZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-24(2)14-4-5-25(3)23(14)22(24)13-8-12(15(27)9-19(13)31-25)18-10-17(29)21-16(28)6-11(26)7-20(21)30-18/h6-9,14,18,22-23,26-28H,4-5,10H2,1-3H3
SMILES (Click to copy)
C1C(O)=CC2OC(C3C(O)=CC4OC5(C)CCC6C5C(C6(C)C)C=4C=3)CC(=O)C=2C=1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
6
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
379.36
Topological Polar Surface Area
100.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
5.10
Molar Refractivity
112.48
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Updated at
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