Structure Database (LMSD)
Common Name
Sayanedine
Systematic Name
Synonyms
3D model of Sayanedine
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)
JSDXTLJPMLRQOB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC=C(C3=CC(OC)=C(O)C=C3)C(=O)C=2C=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
255.71
Topological Polar Surface Area
68.90
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
4.08
Molar Refractivity
82.80
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Created at
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Updated at
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