Otanthusic acid; (E,E,E)-form, 2,3-Didehydropiperidide
AlkaPlorer ID: AK022860
Synonym: Otanthusic acid 2,3-dehydropiperidide
IUPAC Name: 1-(3,4-dihydro-2H-pyridin-1-yl)-7-thiophen-2-ylhepta-2,4,6-trien-1-one
Structure
SMILES: O=C(C=CC=CC=CC1=CC=CS1)N1C=CCCC1
InChI: InChI=1S/C16H17NOS/c18-16(17-12-6-3-7-13-17)11-5-2-1-4-9-15-10-8-14-19-15/h1-2,4-6,8-12,14H,3,7,13H2
InChIKey: PQZFVGYQXOZIIR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Otanthus maritimus | Otanthus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 271.38500000000005
TPSA？: 20.31
MolLogP？: 4.009800000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|