Betanidin; 5-O-β-D-Glucopyranoside
AlkaPlorer ID: AK290566
Synonym: Betanin, Phytolaccanin, C.I. Natural Red 33, E 162
IUPAC Name: 4-[2-[2-carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
Structure
SMILES: O=C(O)C1=CC(=CC=[N+]2C3=CC([O-])=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)O)CC(C(=O)O)N1
InChI: InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)
InChIKey: DHHFDKNIEVKVKS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Portulaca grandiflora | Portulaca | Portulacaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phytolacca americana | Phytolacca | Phytolaccaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 550.4730000000003
TPSA？: 249.38
MolLogP？: -2.9955999999999934
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|