Structure Database (LMSD)
Common Name
(2Z, 8Z)-10-Methacryloyloxy matricaria ester
Systematic Name
Methyl (2Z,8Z)-10-[(Z)-2-methylprop-2-enoyl]oxydeca-2,8-dien-4,6-diynoate
Synonyms
LM ID
LMFA07011192
Formula
Exact Mass
Calculate m/z
258.08921
Sum Composition
Status
Active
3D model of (2Z, 8Z)-10-Methacryloyloxy matricaria ester
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)
YLGZLIITTDZXIQ-WGEIWTTOSA-N
InChi (Click to copy)
InChI=1S/C15H14O4/c1-13(2)15(17)19-12-10-8-6-4-5-7-9-11-14(16)18-3/h8-11H,1,12H2,2-3H3/b10-8-,11-9-
SMILES (Click to copy)
C(/C=C\C#CC#C/C=C\COC(=O)C(=C)C)(=O)OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Solidago canadensis var. scabra
(#59294)
Magnoliopsida
(#3398)
Comprehensive characterization of polyacetylenes and diterpenes from the underground parts of Solidago altissima L. and their contribution to the overall allelopathic activity,
Phytochemistry, 2021
Phytochemistry, 2021
Pubmed ID:
34688040
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
279.46
Topological Polar Surface Area
52.60
Hydrogen Bond Donors
Hydrogen Bond Acceptors
4
logP
1.68
Molar Refractivity
72.11
Admin
Created at
26th Oct 2021
Updated at
26th Oct 2021