(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
AlkaPlorer ID: AK250027
Synonym: None
IUPAC Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
Structure
SMILES: CN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO
InChI: InChI=1S/C7H15NO4/c1-8-4(2-9)6(11)7(12)5(8)3-10/h4-7,9-12H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKey: YWBPEHFIHKFMMC-DBRKOABJSA-N
Reference
A hydroxy-β-caryophyllene from Pterocaulon serrulatum
PubChem CID: 451990
CAS: 117821-05-3
SuperNatural Ⅲ: SN0461855-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 177.2
TPSA？: 84.16000000000001
MolLogP？: -2.6246
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Maltase-glucoamylase | IC50 | 50000.0 | nM | 10.1021/jm00013a012 |
| Homo sapiens | MOLT-4 | CC50 | 100000.0 | ug.mL-1 | 10.1021/jm00013a012 |
| Homo sapiens | MOLT-4 | EC50 | 100000.0 | ug.mL-1 | 10.1021/jm00013a012 |
| Homo sapiens | MT4 | CC50 | 100000.0 | ug.mL-1 | 10.1021/jm00013a012 |
| Homo sapiens | MT4 | EC50 | 100000.0 | ug.mL-1 | 10.1021/jm00013a012 |
| Rattus norvegicus | Alpha-mannosidase 2C1 | IC50 | 190000.0 | nM | 10.1021/jm00013a012 |
| Rattus norvegicus | Lactase-glycosylceramidase | IC50 | 50000.0 | nM | 10.1021/jm00013a012 |
| Rattus norvegicus | Mannosidase 2 alpha 1 | IC50 | 50000.0 | nM | 10.1021/jm00013a012 |
| Rattus norvegicus | Mannosidase 2, alpha B1 | IC50 | 50000.0 | nM | 10.1021/jm00013a012 |
| Rattus norvegicus | Sucrase-isomaltase | IC50 | 50000.0 | nM | 10.1021/jm00013a012 |
| Rattus norvegicus | Sucrase-isomaltase | IC50 | 620000.0 | nM | 10.1021/jm00013a012 |
| Rattus norvegicus | Trehalase | IC50 | 50000.0 | nM | 10.1021/jm00013a012 |
| None | Unchecked | IC50 | 50000.0 | nM | 10.1021/jm00013a012 |
| None | Unchecked | IC50 | 470000.0 | nM | 10.1021/jm00013a012 |