Prunasin
AlkaPlorer ID: AK318649
Synonym: None
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(R)-isocyano(phenyl)methoxy]oxane-3,4,5-triol
Structure
SMILES: [C-]#[N+][C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1
InChI: InChI=1S/C14H17NO6/c1-15-13(8-5-3-2-4-6-8)21-14-12(19)11(18)10(17)9(7-16)20-14/h2-6,9-14,16-19H,7H2/t9-,10-,11+,12-,13-,14+/m1/s1
InChIKey: BCXGVHRDMLVEHQ-WNWFYDSVSA-N
Source
Properties Information
Molecule Weight: 295.291
TPSA？: 103.74
MolLogP？: -0.5790100000000007
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA polymerase iota | Potency | 100000.0 | nM | None |