Gentiocrucine; N-(3-Carboxypropyl)
AlkaPlorer ID: AK299165
Synonym: Gentiocrucine B
IUPAC Name: 4-[(4-hydroxy-6-oxo-2,3-dihydropyran-5-yl)methylideneamino]butanoic acid
Structure
SMILES: O=C(O)CCCN/C=C1\C(=O)CCOC1=O
InChI: InChI=1S/C10H13NO5/c12-8-3-5-16-10(15)7(8)6-11-4-1-2-9(13)14/h6,11H,1-5H2,(H,13,14)/b7-6+
InChIKey: MELIWWVKDGMMLG-VOTSOKGWSA-N
Reference
CAS: 1462328-98-8
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？: 92.70000000000002
MolLogP？: -0.1592999999999997
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|