2,7-Tridecadiene-10,12-diynoic acid; (2E,7Z)-form, 2-Methylpropylamide
AlkaPlorer ID: AK316369
Synonym: 2,7-Tridecadiene-10,12-diynoic acid isobutylamide, N-(2-Methylpropyl)-2,7-tridecadiene-10,12-diynamide
IUPAC Name: (2E,7Z)-N-(2-methylpropyl)trideca-2,7-dien-10,12-diynamide
Structure
SMILES: C#CC#CC/C=C\CCC/C=C/C(O)=NCC(C)C
InChI: InChI=1S/C17H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h1,8-9,13-14,16H,7,10-12,15H2,2-3H3,(H,18,19)/b9-8-,14-13+
InChIKey: AUFSPNOHXVRCBY-NRSBDZSJSA-N
Reference
PubChem CID: 15609892
CAS: 87797-74-8
LOTUS: LTS0112213
SuperNatural Ⅲ: SN0015556-01
NPASS: NPC29858
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echinacea purpurea | Echinacea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Echinacea angustifolia | Echinacea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Spilanthes | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 257.37699999999995
TPSA？: 32.59
MolLogP？: 3.9083000000000014
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|