Structure Database (LMSD)

Common Name
Moniliferone D
Systematic Name
Synonyms
LM ID
LMPK13070046
Formula
Exact Mass
Calculate m/z
360.23006
Status
Active

Classification

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