Leueantine A
AlkaPlorer ID: AK076171
Synonym: '(+)-Leueantine A'
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-4-acetyloxy-11-ethyl-14-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] (E)-3-phenylprop-2-enoate
Structure
SMILES: CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](OC(=O)/C=C/C5=CC=CC=C5)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C36H49NO9/c1-7-37-18-34(19-41-3)25(39)16-26(43-5)36-23-15-22-24(42-4)17-35(28(23)30(22)45-20(2)38,29(33(36)37)31(44-6)32(34)36)46-27(40)14-13-21-11-9-8-10-12-21/h8-14,22-26,28-33,39H,7,15-19H2,1-6H3/b14-13+/t22-,23-,24+,25-,26+,28-,29+,30+,31+,32-,33-,34+,35-,36+/m1/s1
InChIKey: GEEMTDQCJBQOPP-TXYMQOQBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duranta erecta | Duranta | Verbenaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum hemsleyanum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 639.7860000000003
TPSA？: 112.99000000000004
MolLogP？: 2.9620000000000024
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|