Structure Database (LMSD)
Common Name
Cuminone G
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cuminone G
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YHAWQXOYNXPJPY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-22(27)24-23(28)18-21(26)19(2)25(24)29-20/h17-18,26,28H,3-16H2,1-2H3
SMILES (Click to copy)
C1(C)=C(O)C=C(O)C2C(=O)C=C(CCCCCCCCCCCCCCC)OC1=2
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
2
Aromatic Rings
2
Rotatable Bonds
14
Van der Waals Molecular Volume
416.50
Topological Polar Surface Area
70.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
8.05
Molar Refractivity
120.06
Admin
Created at
7th Sep 2021
Updated at
7th Sep 2021