Brunsvigine
AlkaPlorer ID: AK000278
Synonym: '', 'Brunsvigine', 'pancracine', '(-)-Hippagine', 'Pancracine'
IUPAC Name: (1S,13S,15S,16S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-15,16-diol
Structure
SMILES: O[C@H]1C=C2[C@H]3CN(CC4=CC5=C(C=C43)OCO5)[C@H]2C[C@@H]1O
InChI: InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14-/m0/s1
InChIKey: JKZMYBLUKAMPKM-XUXIUFHCSA-N
Reference
Alkaloids of Hippeastrum glaucescens
PubChem CID: 443688
LOTUS: LTS0086552
SuperNatural Ⅲ: SN0168271-08
NPASS: NPC43778
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hippeastrum argentinum | Hippeastrum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 287.315
TPSA？: 62.16000000000001
MolLogP？: 0.7486000000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 200000.0 | nM | 10.1021/acs.jnatprod.5b00785 |
| Equus caballus | Cholinesterase | IC50 | 200000.0 | nM | 10.1021/acs.jnatprod.5b00785 |
| Leishmania donovani | Leishmania donovani | IC50 | 30.0 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | IZ | 16.0 | mm | 10.1016/j.bmcl.2017.09.052 |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 22.0 | mm | 10.1016/j.bmcl.2017.09.052 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 0.7 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 7.1 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |