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

Classification

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
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