1,2-bis({3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl}) 3-(8-methyl-6-{[(2E)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl) 2-methyl-4-phenylcyclobutane-1,2,3-tricarboxylate
AlkaPlorer ID: AK321510
Synonym: None
IUPAC Name: 1-O,2-O-bis(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) 3-O-[8-methyl-6-(2-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-phenylcyclobutane-1,2,3-tricarboxylate
Structure
SMILES: CC=C(C)C(=O)OC1CC2CC(OC(=O)C3C(C4=CC=CC=C4)C(C(=O)OC4CC5CC(O)CC4N5C)C3(C)C(=O)OC3CC4CC(O)CC3N4C)CC1N2C
InChI: InChI=1S/C43H59N3O10/c1-7-22(2)39(49)54-34-18-26-15-29(21-32(34)46(26)6)53-40(50)37-36(23-11-9-8-10-12-23)38(41(51)55-33-16-24-13-27(47)19-30(33)44(24)4)43(37,3)42(52)56-35-17-25-14-28(48)20-31(35)45(25)5/h7-12,24-38,47-48H,13-21H2,1-6H3
InChIKey: BAWQSJNAIYVRIL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizanthus grahamii | Schizanthus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 777.9559999999999
TPSA？: 155.38
MolLogP？: 2.957200000000004
Number of H-Donors: 2
Number of H-Acceptors: 13
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|