Affinine; 16-Epimer, Me ether
AlkaPlorer ID: AK283500
Synonym: Hystrixnine, 16-Epi-17-O-methylaffinine
IUPAC Name: None
Structure
SMILES: C/C=C1\CN(C)C2CC3=C(NC4=CC=CC=C34)C(=O)CC1C2COC
InChI: InChI=1S/C21H26N2O2/c1-4-13-11-23(2)19-9-16-14-7-5-6-8-18(14)22-21(16)20(24)10-15(13)17(19)12-25-3/h4-8,15,17,19,22H,9-12H2,1-3H3/b13-4+
InChIKey: ZLPHWWVRBRPQJE-YIXHJXPBSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana hystrix | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.45100000000014
TPSA？: 45.33
MolLogP？: 3.435900000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|