Structure Database (LMSD)
Common Name
Moniliferone D
Systematic Name
Synonyms
3D model of Moniliferone D
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
String Representations
InChiKey (Click to copy)
OLPSQQCRGWVMPG-NQLNTKRDSA-N
InChi (Click to copy)
InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)22-20(25)16-18(23)17-21(22)26/h7-8,10-11,16-17,23,25-26H,2-6,9,12-15H2,1H3/b8-7-,11-10-
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\CCCCCC)(=O)C1=C(O)C=C(O)C=C1O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
1
Rotatable Bonds
13
Van der Waals Molecular Volume
385.22
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
6.02
Molar Refractivity
105.89
Admin
Created at
14th Sep 2021
Updated at
14th Sep 2021