inuline
AlkaPlorer ID: AK468794
Synonym: None
IUPAC Name: (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: CCN1CC2(COC(=O)C3=CC=CC=C3N)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14
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
InChIKey: NNDHDYDFEDRMGH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
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 |
|---|---|---|---|---|---|
| Bacillus subtilis (strain 168) | ATP-dependent Clp protease proteolytic subunit | Potency | 15848.9 | nM | None |
| Equus caballus | Ferritin light chain | Potency | 31622.8 | nM | None |
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 50118.7 | nM | None |
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 31622.8 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 31622.8 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 3981.1 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase MLL | Potency | 17782.8 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 28183.8 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 11220.2 | nM | None |
| Homo sapiens | Prelamin-A/C | Potency | 79.4 | nM | None |
| Homo sapiens | Protein disulfide-isomerase | AC50 | 19500.0 | nM | None |
| Homo sapiens | Sphingomyelin phosphodiesterase | Potency | 25118.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 35481.3 | nM | None |
| None | Unchecked | Potency | 32642.7 | nM | None |