(3,4-Dihydroxyphenyl)acetic acid; 3-Me ether, nitrile, 4-O-β-D-glucopyranoside
AlkaPlorer ID: AK296390
Synonym: Homovanillonitrile glucoside, Adenophoraside A, Hydranitriloside B1
IUPAC Name: 2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
Structure
SMILES: COC1=CC(CC#N)=CC=C1OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C15H19NO7/c1-21-10-6-8(4-5-16)2-3-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h2-3,6,11-15,17-20H,4,7H2,1H3
InChIKey: IGLFDZPSOHOIMY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hydrangea macrophylla | Hydrangea | Hydrangeaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Adenophora | Campanulaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Adenophora | Campanulaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.317
TPSA？: 132.4
MolLogP？: -1.0600200000000004
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|