Octadeca-2E,4E,8E,10E,14Z-pentaene-12-ynoic acid isobutylamide
AlkaPlorer ID: AK002709
Synonym: 'Octadeca-2E,4E,8E,10Z,14Z-pentaene-12-ynoic acid isobutylamide', '(2E,4E,8E,10Z,14Z)-N-(2-methylpropyl)-2,4,8,10,14-pentaen-12-ynamide', '(2E,4E,8E,10E,14Z)-N-(2-methylpropyl)octadeca-2,4,8,10,14-pentaen-12-ynamide'
IUPAC Name: N-(2-methylpropyl)octadeca-2,4,8,10,14-pentaen-12-ynamide
Structure
SMILES: CCCC=CC#CC=CC=CCCC=CC=CC(O)=NCC(C)C
InChI: InChI=1S/C22H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h6-7,10-13,16-19,21H,4-5,14-15,20H2,1-3H3,(H,23,24)
InChIKey: UZBWCKBPXRODJT-UHFFFAOYSA-N
Reference
Polyacetylenverbindungen, 269 Neue <i>NS</i>‐Isobutylamide aus <i>Heliopsis</i>‐Arten
PubChem CID: 162857989
LOTUS: LTS0013860
COCONUT: CNP0120904
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heliopsis buphthalmoides | Heliopsis | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.4960000000001
TPSA?: 32.59
MolLogP?: 5.963600000000007
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
