alpha-Scopadonnine
AlkaPlorer ID: AK045472
Synonym: '', 'beta-Scopadonnine'
IUPAC Name: 1-O-[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 4-O-[(1S,2R,4S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (1S,4S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate
Structure
SMILES: CN1[C@@H]2C[C@@H](OC(=O)[C@H]3CC[C@](C(=O)O[C@H]4C[C@@H]5[C@@H]6O[C@@H]6[C@H](C4)N5C)(C4=CC=CC=C4)C4=CC=CC=C43)C[C@H]1[C@@H]1O[C@@H]12
InChI: InChI=1S/C34H38N2O6/c1-35-24-14-19(15-25(35)29-28(24)41-29)39-32(37)22-12-13-34(18-8-4-3-5-9-18,23-11-7-6-10-21(22)23)33(38)40-20-16-26-30-31(42-30)27(17-20)36(26)2/h3-11,19-20,22,24-31H,12-17H2,1-2H3/t19-,20-,22-,24-,25+,26+,27-,28-,29+,30-,31+,34-/m0/s1
InChIKey: DZKBRKKSFHBYIN-WVRBXBBTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duboisia leichhardtii | Duboisia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 570.6860000000001
TPSA？: 84.14
MolLogP？: 3.1613000000000016
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|