betanidin
AlkaPlorer ID: AK048220
Synonym: '2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R))-', '(1E,2S)-1-{(2E)-2-(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylideneethylidene}-5,6-dihydroxy-2,3-dihydro-1H-indolium-2-carboxylate', 'Betanidin'
IUPAC Name: (2S)-4-[(E)-2-[(2R)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
Structure
SMILES: O=C(O)C1=N[C@H](C(=O)O)CC(/C=C/N2C3=CC(O)=C(O)C=C3C[C@@H]2C(=O)O)=C1
InChI: InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/b2-1+/t11-,13+/m0/s1
InChIKey: BBJUSJOGHYQDQX-BFIGBBASSA-N
Reference
Betalains Assay of Fermented Red Beet Root Extract by High Performance Liquid Chromatography
PubChem CID: 135612764
LOTUS: LTS0237541
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Portulaca pilosa | Portulaca | Portulacaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 388.33200000000016
TPSA？: 167.95999999999998
MolLogP？: 0.7360999999999998
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|