2-Aminobenzoic acid; β-D-Glucopyranosyl ester
AlkaPlorer ID: AK284311
Synonym: β-D-Glucopyranosyl anthranilate
IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-aminobenzoate
Structure
SMILES: NC1=CC=CC=C1C(=O)OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C13H17NO7/c14-7-4-2-1-3-6(7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2
InChIKey: GTQKOJVFDJDUGN-UHFFFAOYSA-N
Reference
1-O-β-d-glucopyranosyl anthranilate from piñuela (Bromelia plumieri) fruit
PubChem CID: 75595895
LOTUS: LTS0155062
COCONUT: CNP0411243.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bromelia plumieri | Bromelia | Bromeliaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Arabidopsis thaliana | Arabidopsis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 299.279
TPSA？: 142.47000000000003
MolLogP？: -1.7745000000000004
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|