Structure Database (LMSD)
Common Name
(4Z, 8Z)-10-Angeloyloxy matricaria lactone
Systematic Name
10-[(Z)-2-methylbut-2-enoyl]oxydeca-2,4Z,8Z-dien-6-yn-4-olide
Synonyms
LM ID
LMFA07040152
Formula
Exact Mass
Calculate m/z
258.08921
Sum Composition
Status
Curated
3D model of (4Z, 8Z)-10-Angeloyloxy matricaria lactone
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
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
String Representations
InChiKey (Click to copy)
PMCQFFPVAIBCII-JDVHQKSOSA-N
InChi (Click to copy)
InChI=1S/C15H14O4/c1-3-12(2)15(17)18-11-7-5-4-6-8-13-9-10-14(16)19-13/h3,5,7-10H,11H2,1-2H3/b7-5-,12-3-,13-8-
SMILES (Click to copy)
C(OC/C=C\C#C/C=C1\OC(=O)C=C\1)(=O)/C(=C\C)/C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
1
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
269.74
Topological Polar Surface Area
54.67
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
logP
2.34
Molar Refractivity
71.11
Admin
Created at
26th Oct 2021
Updated at
26th Oct 2021