4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid; (Z)-form, Nitrile, 4-O-β-D-glucopyranoside
AlkaPlorer ID: AK301194
Synonym: 4-(β-D-Glucopyranosyloxy)-2-(hydroxymethyl)-2-butenenitrile, Sarmentosin, Nigrumin
IUPAC Name: (Z)-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
Structure
SMILES: N#C/C(=C/COC1OC(CO)C(O)C(O)C1O)CO
InChI: InChI=1S/C11H17NO7/c12-3-6(4-13)1-2-18-11-10(17)9(16)8(15)7(5-14)19-11/h1,7-11,13-17H,2,4-5H2/b6-1-
InChIKey: FWAYDNJCBHNWQD-BHQIHCQQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ribes nigrum | Ribes | Grossulariaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Parnassius | Papilionidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 275.25700000000006
TPSA？: 143.4
MolLogP？: -2.754819999999999
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|