Dodeca-2Z,4E-diene-8,10-diynoic acid isobutylamide
AlkaPlorer ID: AK002927
Synonym: 'Dodeca-2E,4Z-diene-8,10-diynoic acid isobutylamide', '(2E,4Z)-N-(2-methylpropyl)dodeca-2,4-diene-8,10-diynamide', '(2Z,4E)-N-(2-methylpropyl)dodeca-2,4-diene-8,10-diynamide'
IUPAC Name: N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
Structure
SMILES: CC#CC#CCCC=CC=CC(O)=NCC(C)C
InChI: InChI=1S/C16H21NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,8-9,14H2,1-3H3,(H,17,18)
InChIKey: FOAKNWSNLWCNHO-UHFFFAOYSA-N
Reference
Polyacetylenverbindungen, CXII. Über die Inhaltsstoffe aus <i>Echinacea</i>‐Arten
PubChem CID: 71337744
CAS: 113817-69-9
LOTUS: LTS0201239
COCONUT: CNP0183160
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echinacea purpurea | Echinacea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 243.35
TPSA？: 32.59
MolLogP？: 3.518200000000002
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|