Reserpenediol
AlkaPlorer ID: AK046260
Synonym: 18-Hydroxy-11,17-dimethoxyyohimban-16-methanol, Reserpic alcohol
IUPAC Name: 19-(hydroxymethyl)-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-17-ol
Structure
SMILES: COC1=CC=C2C3=C(NC2=C1)C1CC2C(CC(O)C(OC)C2CO)CN1CC3
InChI: InChI=1S/C22H30N2O4/c1-27-13-3-4-14-15-5-6-24-10-12-7-20(26)22(28-2)17(11-25)16(12)9-19(24)21(15)23-18(14)8-13/h3-4,8,12,16-17,19-20,22-23,25-26H,5-7,9-11H2,1-2H3
InChIKey: YCLAQLTVHNAEEQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 386.49200000000025
TPSA？: 77.95
MolLogP？: 2.0999
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 35481.3 | nM | None |
| Homo sapiens | Eukaryotic translation initiation factor 2-alpha kinase 3 | EC50 | 55700.0 | nM | None |
| Homo sapiens | Geminin | Potency | 1032.3 | nM | None |
| Homo sapiens | GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 | Potency | 12995.3 | nM | None |
| Homo sapiens | HepG2 | Potency | 5623.4 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 89125.1 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 100000.0 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 35481.3 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 25118.9 | nM | None |
| Homo sapiens | Relaxin receptor 1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Sphingomyelin phosphodiesterase | Potency | 12589.3 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 5011.9 | nM | None |