(1R,5S)-8-{2-[(1R,5S)-3-(3,4-dimethoxybenzoyloxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl}-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
AlkaPlorer ID: AK435492
Synonym: None
IUPAC Name: [8-[2-[3-(3,4-dimethoxybenzoyl)oxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate
Structure
SMILES: COC1=CC=C(C(=O)OC2CC3CCC(C2)N3CCN2C3CCC2CC(OC(=O)C2=CC=C(OC)C(OC)=C2)C3)C=C1OC
InChI: InChI=1S/C34H44N2O8/c1-39-29-11-5-21(15-31(29)41-3)33(37)43-27-17-23-7-8-24(18-27)35(23)13-14-36-25-9-10-26(36)20-28(19-25)44-34(38)22-6-12-30(40-2)32(16-22)42-4/h5-6,11-12,15-16,23-28H,7-10,13-14,17-20H2,1-4H3
InChIKey: KOCZJZLYLZKBJT-UHFFFAOYSA-N
Reference
Tropane alkaloids of two species of plants of theConvolvulus genus
PubChem CID: 4639600
LOTUS: LTS0000596
COCONUT: CNP0281858.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Convolvulus subhirsutus | Convolvulus | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.7320000000002
TPSA？: 96.0
MolLogP？: 4.725600000000005
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|