Structure Database (LMSD)
Common Name
Isoginkgetin
Systematic Name
8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Synonyms
3D model of Isoginkgetin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
HUOOMAOYXQFIDQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)26-14-24(38)31-22(36)12-21(35)29(32(31)42-26)19-9-16(5-8-25(19)40-2)27-13-23(37)30-20(34)10-17(33)11-28(30)41-27/h3-14,33-36H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(OC)=C(C4=C(O)C=C(O)C5C(=O)C=C(C6=CC=C(OC)C=C6)OC4=5)C=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
6
Aromatic Rings
6
Rotatable Bonds
5
Van der Waals Molecular Volume
468.26
Topological Polar Surface Area
159.80
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
10
logP
7.54
Molar Refractivity
154.81
Admin
Created at
8th Jun 2021
Updated at
8th Jun 2021