Affinine
AlkaPlorer ID: AK014761
Synonym: '', '16-epiaffinine', 'Affinine', '16-epi-Affinine', '16-Epiaffinine'
IUPAC Name: (1R,14S,15E)-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one
Structure
SMILES: C/C=C1/CN(C)[C@@H]2CC3=C(NC4=CC=CC=C34)C(=O)C[C@H]1C2CO
InChI: InChI=1S/C20H24N2O2/c1-3-12-10-22(2)18-8-15-13-6-4-5-7-17(13)21-20(15)19(24)9-14(12)16(18)11-23/h3-7,14,16,18,21,23H,8-11H2,1-2H3/b12-3-/t14-,16?,18-/m1/s1
InChIKey: PXFBZOLANLWPMH-SMLHJDAJSA-N
Reference
Antimicrobially active alkaloids from Tabernaemontana pachysiphon
PubChem CID: 5281345
CAS: 2134-82-9
LOTUS: LTS0259315
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana catharinensis | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 324.4240000000001
TPSA？: 56.33
MolLogP？: 2.781800000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|