Structure Database (LMSD)
Common Name
Kaempferol 7-glucuronide
Systematic Name
Synonyms
3D model of Kaempferol 7-glucuronide
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)
HKMMHEQNCQNUNN-JENRNSKYSA-N
InChi (Click to copy)
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)18-15(26)13(24)12-10(23)5-9(6-11(12)32-18)31-21-17(28)14(25)16(27)19(33-21)20(29)30/h1-6,14,16-17,19,21-23,25-28H,(H,29,30)/t14-,16-,17+,19-,21+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
371.44
Topological Polar Surface Area
209.42
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
12
logP
2.18
Molar Refractivity
110.53
Admin
Created at
-
Updated at
22nd Nov 2021