Compound Summary
Compound Information
Betanidin
Compound Name: | Betanidin |
Compound CID: | 135449343 |
Synonyms: | Betanidin UNII-9I2X8A06CQ 9I2X8A06CQ 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))- 2181-76-2 More... |
Iupac Name: | (2S)-4-[(E)-2-[(2S)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid |
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-WODDMCJRSA-N |
Canonical Smiles: | C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)O)C(=O)O)C(=O)O)C(=O)O |
Isomeric Smiles: | C1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O)O)C(=O)O)C(=O)O)C(=O)O |
Molecular Weight: | 388.3 |
Molecular Formula: | C18H16N2O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Betanidin
Molecular Weight: | 388.3 |
Molecular Formula: | C18H16N2O8 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 28 |
Complexity: | 774 |
Synonyms
Betanidin
| Betanidin | Betanidin |
|---|---|
Betanidin |
UNII-9I2X8A06CQ |
9I2X8A06CQ |
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))- |
2181-76-2 |
(2s)-4-(e)-2-(2s)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-ylethenyl-2,3-dihydropyridine-2,6-dicarboxylic acid |
(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 |
(2S)-4-{2-(2S)-2-carboxy-5,6-dihydroxy-2,3-dihydro-1H-indol-1-ylethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid |
CHEBI:3079 |
DTXSID40944419 |
2,6-Pyridinedicarboxylic acid, 4-(2-((2S)-2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (2S)- |
2-Carboxy-1-2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene-6-hydroxy-2,3-dihydro-1H-indol-1-ium-5-olate |
Experimental Data
Betanidin
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 25 | umol/L | 8.35 | 8.96 | 7.31 | NS | N2 | 32535316 | Inactive |
Experimental Data Visualization
Betanidin
Statistics Data
Betanidin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 7.31 | 1 | 1 |
Statistics Data Visualization
Betanidin
