Globospiramine
AlkaPlorer ID: AK117698
Synonym: None
IUPAC Name: methyl (1R,1'S,7'S,11'R,12R,13'S,16R,17S,18R,22R,24'S,25'R)-18-hydroxy-19'-methoxy-9'-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3[C@@]23CCN2[C@H](O)[C@]4(C[C@@H]5C[C@]67CC(=O)O[C@H]6CCN6CC[C@@]8(C9=CC=CC(OC)=C9N(C4)[C@@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23
InChI: InChI=1S/C43H48N4O7/c1-51-28-9-5-7-26-31(28)47-22-41(19-23-18-40-21-30(48)54-29(40)10-14-45-15-11-43(26,33(23)47)35(40)45)37-39(13-17-53-37)20-24(34(49)52-2)32-42(12-16-46(36(39)42)38(41)50)25-6-3-4-8-27(25)44-32/h3-9,23,29,33,35-38,44,50H,10-22H2,1-2H3/t23-,29-,33-,35-,36-,37+,38+,39-,40-,41-,42-,43-/m0/s1
InChIKey: YPRWDJLQPBDJAW-HHVNBPBNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga globosa | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 732.8780000000002
TPSA？: 113.04
MolLogP？: 3.687400000000002
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 94000.0 | nM | 10.1016/j.ejmech.2011.04.025 |
| Equus caballus | Cholinesterase | IC50 | 16255.49 | nM | 10.1016/j.ejmech.2011.04.025 |
| Equus caballus | Cholinesterase | IC50 | 16400.0 | nM | 10.1016/j.ejmech.2011.04.025 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 4.0 | ug.mL-1 | 10.1016/j.ejmech.2011.04.025 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 5.2 | ug.mL-1 | 10.1016/j.ejmech.2011.04.025 |