Structure Database (LMSD)
Common Name
6-Hydroxyluteolin 7-apioside
Systematic Name
Synonyms
3D model of 6-Hydroxyluteolin 7-apioside
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)
QWGPBCPIKAIUCO-SLFFLAALSA-N
InChi (Click to copy)
InChI=1S/C20H18O11/c21-6-20(28)7-29-19(18(20)27)31-14-5-13-15(17(26)16(14)25)11(24)4-12(30-13)8-1-2-9(22)10(23)3-8/h1-5,18-19,21-23,25-28H,6-7H2/t18-,19-,20+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@](CO)(O)CO2)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
347.99
Topological Polar Surface Area
192.35
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
11
logP
2.43
Molar Refractivity
105.61
Admin
Created at
-
Updated at
-