Spicatine
AlkaPlorer ID: AK313929
Synonym: 4-Ethenyl-3-ethoxy-1,3,4,5,6,7-hexahydro-8H-pyrano[3,4-c]pyridin-8-one
IUPAC Name: 4-ethenyl-3-ethoxy-1,3,4,5,6,7-hexahydropyrano[3,4-c]pyridin-8-one
Structure
SMILES: C=CC1C2=C(COC1OCC)C(O)=NCC2
InChI: InChI=1S/C12H17NO3/c1-3-8-9-5-6-13-11(14)10(9)7-16-12(8)15-4-2/h3,8,12H,1,4-7H2,2H3,(H,13,14)
InChIKey: QUGJNGCHEUYEPN-UHFFFAOYSA-N
Reference
Chemical Studies on <u>Centaurium Spicatum</u> - The Structures of “Spicatine” and “Kantaurin”
PubChem CID: 163072730
CAS: 11053-08-0
LOTUS: LTS0274974
COCONUT: CNP0368938.2
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？: 1.8382
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|