Otanthusic acid; (E,E,E)-form, 2-Methylpropylamide
AlkaPlorer ID: AK308796
Synonym: N-(2-Methylpropyl)-7-(2-thienyl)-2,4,6-heptatrienamide, N-Isobutylotanthusic acid amide
IUPAC Name: None
Structure
SMILES: CC(C)CN/C(=C/C=C/C=C\C1=CC=CS1)C(=O)O
InChI: InChI=1S/C15H19NO2S/c1-12(2)11-16-14(15(17)18)9-5-3-4-7-13-8-6-10-19-13/h3-10,12,16H,11H2,1-2H3,(H,17,18)/b5-3+,7-4-,14-9+
InChIKey: ZQVPKPZWKPIIFY-NTHYVMJYSA-N
Reference
CAS: 52657-11-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Anacyclus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Otanthus maritimus | Otanthus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 277.389
TPSA？: 49.33
MolLogP？: 3.531600000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|