Structure Database (LMSD)
Common Name
Bannamurpanisin
Systematic Name
Synonyms
3D model of Bannamurpanisin
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)
QLVJRZMVFHRFAV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O8/c1-23-14-10-17(26-4)20(28-6)21-18(14)12(22)9-13(29-21)11-7-15(24-2)19(27-5)16(8-11)25-3/h7-10H,1-6H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(OC)C(OC)=C(OC)C=3)=CC(=O)C=2C(OC)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
3
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
351.28
Topological Polar Surface Area
85.59
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
8
logP
4.41
Molar Refractivity
107.34
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Updated at
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