Structure Database (LMSD)
Common Name
Lupinalbin B
Systematic Name
Synonyms
3D model of Lupinalbin B
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)
NOYRXEKDLRHOOL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O6/c1-9(2)3-5-11-13(22)8-15-17(18(11)23)19(24)16-12-6-4-10(21)7-14(12)25-20(16)26-15/h3-4,6-8,21-23H,5H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC3OC4C(=CC=C(O)C=4)C=3C(=O)C=2C(O)=C1C/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
4
Rotatable Bonds
2
Van der Waals Molecular Volume
290.50
Topological Polar Surface Area
104.04
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
5.22
Molar Refractivity
98.00
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Updated at
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