(1R,2S,6S,9S,10R,11R,14S,15S,18S,20S,23R,24S)-6,10,23-trimethyl-20-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
AlkaPlorer ID: AK091569
Synonym: None
IUPAC Name: (1R,2S,6S,9S,10R,11R,14S,15S,18S,20S,23R,24S)-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Structure
SMILES: C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]45C)[C@@H]3CN2C1
InChI: InChI=1S/C33H53NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-26,28-32,35,37-39H,4-15H2,1-3H3/t16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,28+,29+,30-,31+,32+,33+/m0/s1
InChIKey: BSSXNTZKMOAXRA-MXXYQIINSA-N
Reference
Isolation and Identification of Flavonoids
PubChem CID: 192465
CAS: 150134-44-4
LOTUS: LTS0246950
SuperNatural Ⅲ: SN0034433-04
NPASS: NPC137823
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isochrysis galbana | Isochrysis | Isochrysidaceae | Isochrysidales | None | Haptophyta | None | Eukaryota |
| Fritillaria pallidiflora | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Fritillaria walujewii | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 575.787
TPSA？: 119.69
MolLogP？: 2.5956
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 11460.0 | nM | 10.1016/j.ejmech.2017.06.007 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | nan | % | 10.1016/j.ejmech.2017.06.007 |
| Equus caballus | Cholinesterase | IC50 | 6800.0 | nM | 10.1016/j.ejmech.2017.06.007 |
| None | Unchecked | Ratio IC50 | 0.59 | None | 10.1016/j.ejmech.2017.06.007 |