Gentiocrucine; N-(1-Carboxy-2-methylpropyl)
AlkaPlorer ID: AK299164
Synonym: Gentiocrucine E
IUPAC Name: 2-[(4-hydroxy-6-oxo-2,3-dihydropyran-5-yl)methylideneamino]-3-methylbutanoic acid
Structure
SMILES: CC(C)C(N/C=C1\C(=O)CCOC1=O)C(=O)O
InChI: InChI=1S/C11H15NO5/c1-6(2)9(10(14)15)12-5-7-8(13)3-4-17-11(7)16/h5-6,9,12H,3-4H2,1-2H3,(H,14,15)/b7-5+
InChIKey: MWMVJPKASGSONH-FNORWQNLSA-N
Reference
CAS: 1462329-01-6
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？: 92.7
MolLogP？: 0.0850999999999994
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|