LIPID MAPS

Structure Database (LMSD)

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Systematic Name

(E)-[(Z)-deca-8-en-4,6-diynyl]-3-(4-hydroxy-3-methoxyphenyl) acrylate

Synonyms

LM ID

LMFA07011644

Formula

C₂₀H₂₀O₄

Exact Mass

Calculate m/z

324.13616

Sum Composition

WE 20:10;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dolomiaea souliei (#454324)

Magnoliopsida (#3398)

Two new polyacetylenes from the roots of <i>Dolomiaea souliei</i>.,
Nat Prod Res, 2025

Pubmed ID: 40577108

String Representations

InChiKey (Click to copy)

LBCNANKHBFJTNH-UUPXUFEPSA-N

InChi (Click to copy)

InChI=1S/C20H20O4/c1-3-4-5-6-7-8-9-10-15-24-20(22)14-12-17-11-13-18(21)19(16-17)23-2/h3-4,11-14,16,21H,9-10,15H2,1-2H3/b4-3-,14-12+

SMILES (Click to copy)

C(OC(=O)/C=C/C1=CC=C(O)C(OC)=C1)CCC#CC#C/C=C\C

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 1

Aromatic Rings 1

Rotatable Bonds 7

Van der Waals Molecular Volume 340.06

Topological Polar Surface Area 55.76

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 3.61

Molar Refractivity 94.74

Admin

Created at

11th Jul 2025

Updated at