None
AlkaPlorer ID: AK323770
Synonym: None
IUPAC Name: [(1S,2S,4R,11R,12S,14R,16S)-14-hydroxy-16-methyl-3-oxa-7-azapentacyclo[9.6.0.01,7.02,4.02,14]heptadecan-12-yl] 3-(4-hydroxyphenyl)propanoate
Structure
SMILES: C[C@@H]1C[C@@]2(O)C[C@H](OC(=O)CCC3=CC=C(O)C=C3)[C@@H]3CCCN4CC[C@H]5O[C@@]52[C@]34C1
InChI: InChI=1S/C25H33NO5/c1-16-13-23(29)15-20(30-22(28)9-6-17-4-7-18(27)8-5-17)19-3-2-11-26-12-10-21-25(23,31-21)24(19,26)14-16/h4-5,7-8,16,19-21,27,29H,2-3,6,9-15H2,1H3/t16-,19+,20+,21-,23-,24+,25+/m1/s1
InChIKey: OWIRDPLTQMBZOR-KRVHTBJGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phlegmariurus squarrosus | Phlegmariurus | Lycopodiaceae | Lycopodiales | Lycopodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.5410000000003
TPSA？: 82.53
MolLogP？: 2.793400000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Acetylcholinesterase | Inhibition | 50.0 | % | 10.1021/acs.jnatprod.9b00815 |