Gentiocrucine; N-[1-(Methoxycarbonyl)ethyl]
AlkaPlorer ID: AK299167
Synonym: Gentiocrucine D
IUPAC Name: methyl 2-[(4-hydroxy-6-oxo-2,3-dihydropyran-5-yl)methylideneamino]propanoate
Structure
SMILES: COC(=O)C(C)N/C=C1\C(=O)CCOC1=O
InChI: InChI=1S/C10H13NO5/c1-6(9(13)15-2)11-5-7-8(12)3-4-16-10(7)14/h5-6,11H,3-4H2,1-2H3/b7-5+
InChIKey: IQPHQBJEKMFVBO-FNORWQNLSA-N
Reference
CAS: 1462329-00-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Swertia macrosperma | Swertia | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Swertia angustifolia | Swertia | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 227.21599999999995
TPSA？: 81.69999999999999
MolLogP？: -0.4626000000000008
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|