Spicatine; Δ1,8a-Isomer
AlkaPlorer ID: AK313930
Synonym: None
IUPAC Name: 4-ethenyl-3-ethoxy-3,4,4a,5,6,7-hexahydropyrano[3,4-c]pyridin-8-one
Structure
SMILES: C=CC1C(OCC)OC=C2C(O)=NCCC21
InChI: InChI=1S/C12H17NO3/c1-3-8-9-5-6-13-11(14)10(9)7-16-12(8)15-4-2/h3,7-9,12H,1,4-6H2,2H3,(H,13,14)
InChIKey: SRLGFJSPXVLEEN-UHFFFAOYSA-N
Reference
Chemical Studies on <u>Centaurium Spicatum</u> - The Structures of “Spicatine” and “Kantaurin”
PubChem CID: 162915667
LOTUS: LTS0195804
COCONUT: CNP0184833.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Centaurium | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 223.272
TPSA？: 51.05
MolLogP？: 2.0417
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|