2-Undecene-8,10-diynoic acid; (Z)-form, 2-Methylpropylamide
AlkaPlorer ID: AK317158
Synonym: None
IUPAC Name: (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide
Structure
SMILES: C#CC#CCCCC/C=C/C(O)=NCC(C)C
InChI: InChI=1S/C15H21NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,11-12,14H,7-10,13H2,2-3H3,(H,16,17)/b12-11+
InChIKey: YKYOIMJLSMZUBA-VAWYXSNFSA-N
Reference
Alkamides from the roots of Echinacea angustifolia
PubChem CID: 5368482
CAS: 120727-28-8
LOTUS: LTS0119707
SuperNatural Ⅲ: SN0453232-02
NPASS: NPC124382
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echinacea angustifolia | Echinacea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 231.339
TPSA？: 32.59
MolLogP？: 3.352100000000002
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cannabinoid CB1 receptor | Ki | 40000.0 | nM | 10.1021/acs.jnatprod.8b00874 |
| Homo sapiens | Cannabinoid CB2 receptor | Ki | 40000.0 | nM | 10.1021/acs.jnatprod.8b00874 |
| Solenopsis saevissima | Solenopsis saevissima | LD50 | 0.67 | ug/mg | 10.1002/ps.2274 |
| Solenopsis saevissima | Solenopsis saevissima | LD80 | 2.22 | ug/mg | 10.1002/ps.2274 |
| Solenopsis saevissima | Solenopsis saevissima | mortality | 57.0 | % | 10.1002/ps.2274 |
| Tetragonisca angustula | Tetragonisca angustula | LD50 | 0.67 | ug/mg | 10.1002/ps.2274 |
| Tetragonisca angustula | Tetragonisca angustula | LD80 | 2.02 | ug/mg | 10.1002/ps.2274 |
| Tetragonisca angustula | Tetragonisca angustula | mortality | 62.0 | % | 10.1002/ps.2274 |
| Tuta absoluta | Tuta absoluta | LD50 | 0.49 | ug/mg | 10.1002/ps.2274 |
| Tuta absoluta | Tuta absoluta | LD80 | 1.34 | ug/mg | 10.1002/ps.2274 |
| None | Unchecked | Ratio | 1.37 | None | 10.1002/ps.2274 |
| None | Unchecked | Ratio | 1.39 | None | 10.1002/ps.2274 |