Dodeca-2E,4E,10E-triene-8-ynoic acid isobutylamide
AlkaPlorer ID: AK003009
Synonym: 'Dodeca-2E,4Z,10Z-triene-8-ynoic acid isobutylamide', '(2E,4E,10E)-N-(2-methylpropyl)dodeca-2,4,10-trien-8-ynamide', '(2E,4Z,10E)-N-(2-methylpropyl)dodeca-2,4,10-trien-8-ynamide', 'Dodeca-2E,4Z,10E-triene-8-ynoic acid isobutylamide', '(2E,4Z,10Z)-N-(2-methylpropyl)dodeca-2,4,10-trien-8-ynamide'
IUPAC Name: N-(2-methylpropyl)dodeca-2,4,10-trien-8-ynamide
Structure
SMILES: CC=CC#CCCC=CC=CC(O)=NCC(C)C
InChI: InChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-5,10-13,15H,8-9,14H2,1-3H3,(H,17,18)
InChIKey: NFFPFDVUIWBNTI-UHFFFAOYSA-N
Reference
PubChem CID: 71337772
CAS: 113836-87-6
LOTUS: LTS0240540
NPASS: NPC270019
COCONUT: CNP0176409
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echinacea angustifolia | Echinacea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 245.366
TPSA？: 32.59
MolLogP？: 4.071000000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|