5-[9-(2-hydroxybutyl)-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,?.0?,¹?.0?,¹³]tetradecan-3-yl]-4-methoxy-3-methyl-2,5-dihydrofuran-2-one
AlkaPlorer ID: AK321390
Synonym: None
IUPAC Name: 2-[9-(2-hydroxybutyl)-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-3-methoxy-4-methyl-2H-furan-5-one
Structure
SMILES: CCC(O)CC12C3CC4C5C(C)C(C6OC(=O)C(C)=C6OC)OC5(O3)C1CCN42
InChI: InChI=1S/C22H31NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,18-19,24H,5-9H2,1-4H3
InChIKey: LZIYZPJJVMGBPX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona aphylla | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.4910000000002
TPSA？: 77.46000000000001
MolLogP？: 1.5859999999999996
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|