12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0?,¹?]pentadecan-13-one
AlkaPlorer ID: AK135059
Synonym: None
IUPAC Name: (1R,9S,10R,11R,12S)-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-one
Structure
SMILES: C[C@@H]1C(=O)O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@@H]13
InChI: InChI=1S/C13H19NO3/c1-8-10-11-9-4-2-6-14(11)7-3-5-13(10,16-9)17-12(8)15/h8-11H,2-7H2,1H3/t8-,9-,10+,11-,13+/m0/s1
InChIKey: NZKVEHYEBCHMPJ-XPORZQOISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona curtisii | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 237.299
TPSA？: 38.77
MolLogP？: 1.1487999999999998
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | MIC | 2.77 | nM | 10.1021/np100474y |
| Homo sapiens | Acetylcholinesterase | MIC | 1000.0 | ng | 10.1021/np100474y |