inuline
AlkaPlorer ID: AK468798
Synonym: None
IUPAC Name: [(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24
InChI: InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1
InChIKey: NNDHDYDFEDRMGH-ZPGZUGTNSA-N
Reference
Effects of Inulins from Crude Drugs on Phagocytic Activity of Mouse Reticuloendotherial System
PubChem CID: 44363234
LOTUS: LTS0153720
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sphenoclea zeylanica | Sphenoclea | Sphenocleaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 586.7260000000003
TPSA？: 132.94000000000003
MolLogP？: 1.717900000000002
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit | IC50 | 1600.0 | nM | 10.1021/jm9604991 |