Structure Database (LMSD)
Common Name
Sakuranetin
Systematic Name
Synonyms
3D model of Sakuranetin
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)
DJOJDHGQRNZXQQ-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@]([H])(C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
251.95
Topological Polar Surface Area
78.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
2.81
Molar Refractivity
75.08
Admin
Created at
-
Updated at
-