None
AlkaPlorer ID: AK323771
Synonym: None
IUPAC Name: [(1S,2S,4R,11R,12S,14S,16R)-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@H]2C[C@H](OC(=O)CCC3=CC=C(O)C=C3)[C@@H]3CCCN4CC[C@H]5O[C@]25[C@]34C1
InChI: InChI=1S/C25H33NO4/c1-16-13-18-14-21(29-23(28)9-6-17-4-7-19(27)8-5-17)20-3-2-11-26-12-10-22-25(18,30-22)24(20,26)15-16/h4-5,7-8,16,18,20-22,27H,2-3,6,9-15H2,1H3/t16-,18+,20+,21+,22-,24+,25-/m1/s1
InChIKey: SRCHVEIHBGSEBY-LWISLXJSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phlegmariurus squarrosus | Phlegmariurus | Lycopodiaceae | Lycopodiales | Lycopodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 411.5420000000003
TPSA？: 62.3
MolLogP？: 3.6785000000000014
Number of H-Donors: 1
Number of H-Acceptors: 5
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 |