(1R,4R,5S,6S,16R)-5,6-dihydroxy-4-isopropyl-5,6-dimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
AlkaPlorer ID: AK018672
Synonym: None
IUPAC Name: (1R,4R,5R,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Structure
SMILES: CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
InChI: InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1
InChIKey: SOODLZHDDSGRKL-FOOXYVKASA-N
Reference
Globiferine a pyrrolizidine alkaloid from crotalaria globifera
PubChem CID: 119040
LOTUS: LTS0026507
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichodesma africanum | Trichodesma | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.415
TPSA？: 96.3
MolLogP？: 0.2435000000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 24.19 | % | 10.1016/j.bmc.2012.09.040 |
| Equus caballus | Cholinesterase | Inhibition | 3.04 | % | 10.1016/j.bmc.2012.09.040 |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 5011.9 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 891.3 | nM | None |
| Homo sapiens | Ras-related protein Rab-9A | Potency | 1258.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 18356.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 9285.0 | nM | None |