Structure Database (LMSD)
Common Name
Naringenin 7-(2-p-Coumaroylglucoside)
Systematic Name
5,7,4'-Trihydroxyflavanone 7-(2-p-Coumaroylglucoside)
Synonyms
3D model of Naringenin 7-(2-p-Coumaroylglucoside)
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)
GWQICLAGXZQERP-PTROEBSBSA-N
InChi (Click to copy)
InChI=1S/C30H28O12/c31-14-24-27(37)28(38)29(42-25(36)10-3-15-1-6-17(32)7-2-15)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-12,22,24,27-34,37-38H,13-14H2/b10-3+/t22?,24-,27-,28+,29-,30-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](OC(/C=C/C3C=CC(O)=CC=3)=O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C(O)C2C(=O)CC(C3C=CC(O)=CC=3)OC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
506.86
Topological Polar Surface Area
196.58
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
12
logP
3.67
Molar Refractivity
146.99
Admin
Created at
-
Updated at
26th Oct 2021