4-(2-Nitroethyl)phenol; O-[β-D-Xylopyranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK307868
Synonym: 4-(2-Nitroethyl)phenyl primeveroside, Thalictricoside
IUPAC Name: 2-[4-(2-nitroethyl)phenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Structure
SMILES: O=[N+]([O-])CCC1=CC=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C=C1
InChI: InChI=1S/C19H27NO12/c21-11-7-29-18(16(25)13(11)22)30-8-12-14(23)15(24)17(26)19(32-12)31-10-3-1-9(2-4-10)5-6-20(27)28/h1-4,11-19,21-26H,5-8H2
InChIKey: ZHVLPKFAODFQST-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Diploclisia glaucescens | Diploclisia | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Semiaquilegia adoxoides | Semiaquilegia | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Annona squamosa | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 461.42
TPSA？: 201.44
MolLogP？: -2.852199999999997
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|