Gentiocrucine; N-[3-(Methoxycarbonyl)propyl]
AlkaPlorer ID: AK299168
Synonym: Gentiocrucine C
IUPAC Name: methyl 4-[(4-hydroxy-6-oxo-2,3-dihydropyran-5-yl)methylideneamino]butanoate
Structure
SMILES: COC(=O)CCCN/C=C1\C(=O)CCOC1=O
InChI: InChI=1S/C11H15NO5/c1-16-10(14)3-2-5-12-7-8-9(13)4-6-17-11(8)15/h7,12H,2-6H2,1H3/b8-7+
InChIKey: VALSXFGMCWTDRD-BQYQJAHWSA-N
Reference
CAS: 1462328-99-9
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: 241.243
TPSA？: 81.69999999999999
MolLogP？: -0.0708999999999999
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|