11-ethyl-15-hydroxy-15-methyl-4-(4-methyl-5-oxooxolan-2-yl)-13-oxa-5-azatetracyclo[8.6.0.0¹,?.0¹²,¹?]hexadecan-14-one
AlkaPlorer ID: AK083551
Synonym: None
IUPAC Name: (1R,4S,10S,11R,12R,15R,16S)-11-ethyl-15-hydroxy-15-methyl-4-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]-13-oxa-5-azatetracyclo[8.6.0.01,5.012,16]hexadecan-14-one
Structure
SMILES: CC[C@H]1[C@H]2OC(=O)[C@](C)(O)[C@H]2[C@]23CC[C@@H]([C@@H]4C[C@@H](C)C(=O)O4)N2CCCC[C@@H]13
InChI: InChI=1S/C22H33NO5/c1-4-13-14-7-5-6-10-23-15(16-11-12(2)19(24)27-16)8-9-22(14,23)18-17(13)28-20(25)21(18,3)26/h12-18,26H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,17-,18+,21-,22-/m1/s1
InChIKey: SVSUKQDSRBZWNP-QVMKZURUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stichoneuron caudatum | Stichoneuron | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.50800000000027
TPSA？: 76.07
MolLogP？: 2.2737
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 9100.0 | nM | 10.1021/np400978x |