Structure Database (LMSD)
Common Name
6-Hydroxykaempferol 4'-methyl ether 7-glucoside
Systematic Name
3,5,6-Trihydroxy-4'-methoxyflavone-7-β-D-glucoside
Synonyms
3D model of 6-Hydroxykaempferol 4'-methyl ether 7-glucoside
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)
ZJEAJHNKCFZPND-CQZUKOJFSA-N
InChi (Click to copy)
InChI=1S/C22H22O12/c1-31-9-4-2-8(3-5-9)21-19(29)17(27)13-10(32-21)6-11(14(24)16(13)26)33-22-20(30)18(28)15(25)12(7-23)34-22/h2-6,12,15,18,20,22-26,28-30H,7H2,1H3/t12-,15-,18+,20-,22-/m1/s1
SMILES (Click to copy)
C1C=C(OC)C=CC=1C1=C(O)C(=O)C2C(O)=C(O)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
4
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
391.38
Topological Polar Surface Area
201.58
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
12
logP
2.38
Molar Refractivity
117.02
Admin
Created at
-
Updated at
4th Nov 2021