None
AlkaPlorer ID: AK323884
Synonym: None
IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(E)-2-cyano-4-hydroxybut-2-enoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
Structure
SMILES: N#C/C(=C\CO)CO[C@@H]1O[C@H](COC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C18H21NO9/c19-7-10(5-6-20)8-27-18-16(24)15(23)14(22)13(28-18)9-26-17(25)11-1-3-12(21)4-2-11/h1-5,13-16,18,20-24H,6,8-9H2/b10-5+/t13-,14-,15+,16-,18-/m1/s1
InChIKey: BFPWXGLRLABHOJ-GABSDJRCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 395.364
TPSA？: 169.7
MolLogP？: -1.1845200000000005
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HK-2 | Inhibition | nan | % | 10.1021/acs.jnatprod.7b01037 |
| Mus musculus | Short transient receptor potential channel 6 | IC50 | 24500.0 | nM | 10.1021/acs.jnatprod.7b01037 |