15beta-stemmadenine
AlkaPlorer ID: AK010314
Synonym: '', '15-beta-stemmadenine', 'stemmadenin', '(+)-stemmadenine', '15alpha-stemmadenine', '15-alpha-stemmadenine', '15beta-stemmadenine', 'Stemmadenine'
IUPAC Name: methyl (1R,2S,16E)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
Structure
SMILES: C/C=C1/CN2CCC3=C(NC4=CC=CC=C34)[C@@](CO)(C(=O)OC)[C@@H]1CC2
InChI: InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17-,21+/m1/s1
InChIKey: MBXJCHZRHROMQA-YVDMJPQFSA-N
Reference
A new stereoisomer of stemmadenine alkaloid from <i>Tabernaemontana heyneana</i>
PubChem CID: 10066724
LOTUS: LTS0243105
NPASS: NPC187106
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhazya stricta | Rhazya | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000016
TPSA？: 65.56
MolLogP？: 2.3953000000000007
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 37.5 | ug.mL-1 | 10.1021/np50055a036 |
| Escherichia coli | Escherichia coli | MIC | 1.25 | ug.mL-1 | 10.1021/np50055a036 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 7.5 | ug.mL-1 | 10.1021/np50055a036 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 5.0 | ug.mL-1 | 10.1021/np50055a036 |