None
AlkaPlorer ID: AK323885
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-hydroxy-3-methoxybenzoate
Structure
SMILES: COC1=CC(C(=O)OC[C@H]2O[C@@H](OC/C(C#N)=C/CO)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O
InChI: InChI=1S/C19H23NO10/c1-27-13-6-11(2-3-12(13)22)18(26)28-9-14-15(23)16(24)17(25)19(30-14)29-8-10(7-20)4-5-21/h2-4,6,14-17,19,21-25H,5,8-9H2,1H3/b10-4+/t14-,15-,16+,17-,19-/m1/s1
InChIKey: PROSVEMSQRWZII-UDEHJMMBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 425.3900000000001
TPSA？: 178.92999999999998
MolLogP？: -1.17592
Number of H-Donors: 5
Number of H-Acceptors: 11
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 | 25600.0 | nM | 10.1021/acs.jnatprod.7b01037 |