Compound Summary
Dihydrokainic acid
Compound Information
Dihydrokainic acid
Compound Name: | Dihydrokainic acid |
Compound CID: | 107883 |
Synonyms: | Dihydrokainic acid 52497-36-6 Dihydrokainate (2S,3S,4R)-2-Carboxy-4-isopropyl-3-pyrrolidineacetic acid UNII-MQ4LMC2HN5 More... |
Iupac Name: | (2S,3S,4R)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid |
InChI: | InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1 |
InChIKey: | JQPDCKOQOOQUSC-OOZYFLPDSA-N |
Canonical Smiles: | CC(C)C1CNC(C1CC(=O)O)C(=O)O |
Isomeric Smiles: | CC(C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O |
Molecular Weight: | 215.25 |
Molecular Formula: | C10H17NO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Dihydrokainic acid
Molecular Weight: | 215.25 |
Molecular Formula: | C10H17NO4 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 15 |
Complexity: | 264 |
Synonyms
Dihydrokainic acid
| Dihydrokainic acid | Dihydrokainic acid |
|---|---|
Dihydrokainic acid |
52497-36-6 |
Dihydrokainate |
(2S,3S,4R)-2-Carboxy-4-isopropyl-3-pyrrolidineacetic acid |
UNII-MQ4LMC2HN5 |
MQ4LMC2HN5 |
CHEMBL279561 |
CHEBI:43562 |
(2S,3S,4R)-2-carboxy-4-(1-methylethyl)-3-pyrrolidineacetic acid |
(2S,3S,4R)-3-(carboxymethyl)-4-isopropylpyrrolidine-2-carboxylic acid |
(3S,4R)-3-(carboxymethyl)-4-(propan-2-yl)-L-proline |
(2S,3S,4R)-3-(carboxymethyl)-4-(propan-2-yl)pyrrolidine-2-carboxylic acid |
Dihydrokainic Acid, Natural |
1ftk |
1xhy |
Dihydrokaioic Acid |
SCHEMBL155919 |
DTXSID20200489 |
HMS3261K11 |
ZINC3995564 |
Tox21_500375 |
BDBM50240399 |
PDSP2_001490 |
(2S,3S,4R)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid |
AKOS024456387 |
CCG-221679 |
LP00375 |
SDCCGSBI-0633704.P001 |
VZ31869 |
NCGC00261060-01 |
XD160600 |
B6208 |
Dihydrokainic acid, >=98% (HPLC), powder |
A829114 |
SR-01000597697 |
SR-01000597697-1 |
(2R,3R,4S)-3-(carboxymethyl)-4-isopropylpyrrolidinium-2-carboxylate |
(2S,3S,4R)-4-isopropyl-3-(2-oxido-2-oxoethyl)pyrrolidinium-2-carboxylate |
3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethyl)-, (2S,3S,4R)- |
(2S-(2alpha,3beta,4beta))-2-Carboxy-4-(1-methylethyl)-3-pyrrolidineacetic acid |
Experimental Data
Dihydrokainic acid
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 3.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Dihydrokainic acid
Statistics Data
Dihydrokainic acid
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3.000000000000000 | 1 | 1 |
Statistics Data Visualization
Dihydrokainic acid
