Structure Database (LMSD)
Common Name
Pumilaisoflavone C
Systematic Name
5,7,4'-Trihydroxy-3',5'-dimethoxy-6,2'-diprenylisoflavone
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Pumilaisoflavone C
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ZFUYAROWFZXDIQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H30O7/c1-14(2)7-9-16-18(11-22(32-5)26(31)27(16)33-6)19-13-34-21-12-20(28)17(10-8-15(3)4)24(29)23(21)25(19)30/h7-8,11-13,28-29,31H,9-10H2,1-6H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=C(C/C=C(\C)/C)C(OC)=C(O)C(OC)=C3)=COC=2C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
3
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
441.01
Topological Polar Surface Area
109.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
6.51
Molar Refractivity
132.40
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Created at
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Updated at
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