Retuline; 16-Epimer, N-de-Ac
AlkaPlorer ID: AK312381
Synonym: Na-Desacetylisoretuline, Isodeacetylretuline, Desacetylisoretuline
IUPAC Name: None
Structure
SMILES: C/C=C1/CN2CCC34C5=CC=CC=C5NC3C(CO)C1CC24
InChI: InChI=1S/C19H24N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,13-14,17-18,20,22H,7-11H2,1H3/b12-2-
InChIKey: GNFMIIWVXDLWDU-OIXVIMQBSA-N
Reference
CAS: 13941-27-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos henningsii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos floribunda | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 296.41400000000004
TPSA？: 35.5
MolLogP？: 2.3811
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|