Compound Summary
carboxyatractyloside
Compound Information
carboxyatractyloside
Compound Name: | carboxyatractyloside |
Compound CID: | 20055804 |
Synonyms: | Carboxyatractyloside 33286-30-5 Carboxyatractyloside dipotassium CATR (1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yloxy-9-methyl-14-methylidenetetracyclo11.2.1.01,10.04,9hexadecane-5,5-dicarboxylic acid More... |
Iupac Name: | (1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid |
InChI: | InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1 |
InChIKey: | AQFATIOBERWBDY-LNQSNDDKSA-N |
Canonical Smiles: | CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O |
Isomeric Smiles: | CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O |
Molecular Weight: | 770.8 |
Molecular Formula: | C31H46O18S2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
carboxyatractyloside
Molecular Weight: | 770.8 |
Molecular Formula: | C31H46O18S2 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 18 |
Rotatable Bond Count: | 13 |
Heavy Atom Count: | 51 |
Complexity: | 1600 |
Synonyms
carboxyatractyloside
| carboxyatractyloside | carboxyatractyloside |
|---|---|
Carboxyatractyloside |
33286-30-5 |
Carboxyatractyloside dipotassium |
CATR |
(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yloxy-9-methyl-14-methylidenetetracyclo11.2.1.01,10.04,9hexadecane-5,5-dicarboxylic acid |
77228-71-8 |
Gummiferin |
CXT |
GTPL4572 |
SCHEMBL1612956 |
CHEBI:189512 |
HY-N1502 |
CS-0017047 |
Q27075710 |
(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulooxyoxan-2-yloxy-9-methyl-14-methylidenetetracyclo11.2.1.01,10.04,9hexadecane-5,5-dicarboxylic acid |
(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-{(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyl)oxy-4,5-bis(sulfooxy)oxan-2-yloxy}-9-methyl-14-methylidenetetracyclo11.2.1.0^{1,10}.0^{4,9}hexadecane-5,5-dicarboxylic acid |
15alpha-Hydroxy-2beta-2-O-(3-methyl-1-oxobutyl)-3-O,4-O-disulfo-beta-D-glucopyranosyloxykaur-16-ene-18,19-dioic acid |
Experimental Data
carboxyatractyloside
| 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 | 100.000000000000000 | umol/L | 12.000000000000000 | 6.000000000000000 | -0.500000000000000 | 15.000000000000000 | 8.000000000000000 | -0.470000000000000 | S | N2 | 30963762 | Inactive | |
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 12.000000000000000 | 10.000000000000000 | -0.170000000000000 | 15.000000000000000 | 13.000000000000000 | -0.130000000000000 | S | N2 | 30963762 | Inactive | |
| Caenorhabditis elegans | 1.000000000000000 | umol/L | 12.000000000000000 | 12.000000000000000 | 0.000000000000000 | 15.000000000000000 | 16.000000000000000 | 0.070000000000000 | NS | N2 | 30963762 | Inactive | |
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 12.000000000000000 | 8.000000000000000 | -0.330000000000000 | 15.000000000000000 | 9.000000000000000 | -0.400000000000000 | S | N2 | 30963762 | Inactive |
Experimental Data Visualization
carboxyatractyloside
Statistics Data
carboxyatractyloside
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.000000000000000 | 0.070000000000000 | 1 | 4 |
Statistics Data Visualization
carboxyatractyloside
