(2,4-Dihydroxyphenyl)acetic acid; Nitrile, 2-O-β-D-glucopyranoside
AlkaPlorer ID: AK296383
Synonym: Ehretioside B
IUPAC Name: 2-[4-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
Structure
SMILES: N#CCC1=CC=C(O)C=C1OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C14H17NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-2,5,10-14,16-20H,3,6H2
InChIKey: HVSMXONXCJBJIF-UHFFFAOYSA-N
Reference
Nitrile glucosides and rosmarinic acid, the histamine inhibitor from Ehretia philippinensis
PubChem CID: 85139737
CAS: 156368-84-2
LOTUS: LTS0131140
COCONUT: CNP0411625.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Semiaquilegia adoxoides | Semiaquilegia | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ehretia philippinensis | Ehretia | Ehretiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.29
TPSA？: 143.4
MolLogP？: -1.3630200000000006
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|