Compound Summary
delta4-Dafachronic acid
Compound Information
delta4-Dafachronic acid
Compound Name: | delta4-Dafachronic acid |
Compound CID: | 22216313 |
Synonyms: | delta4-Dafachronic acid Delta(4)-dafachronic acid 23017-97-2 cholest-4-en-3-one-26-oic acid (6R)-6-(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopentaaphenanthren-17-yl-2-methylheptanoic acid More... |
Iupac Name: | (6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid |
InChI: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1 |
InChIKey: | PSXQJZDFWDKBIP-NNWQCNCGSA-N |
Canonical Smiles: | CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
Isomeric Smiles: | C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
Molecular Weight: | 414.6 |
Molecular Formula: | C27H42O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
delta4-Dafachronic acid
Molecular Weight: | 414.6 |
Molecular Formula: | C27H42O3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 30 |
Complexity: | 724 |
Synonyms
delta4-Dafachronic acid
| delta4-Dafachronic acid | delta4-Dafachronic acid |
|---|---|
delta4-Dafachronic acid |
Delta(4)-dafachronic acid |
23017-97-2 |
cholest-4-en-3-one-26-oic acid |
(6R)-6-(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopentaaphenanthren-17-yl-2-methylheptanoic acid |
3-Oxocholest-4-en-26-oic acid |
Cholest-4-en-26-oic acid, 3-oxo- |
SCHEMBL1176929 |
CHEBI:78686 |
3-keto-4-cholestene-26-oic acid |
3-keto-4-cholestene-27-oic acid |
cholest-4-en-3-one-27-oic acid |
3-Oxocholest-4-en-26-oic acid # |
Q27147911 |
Experimental Data
delta4-Dafachronic 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 | 250.000000000000000 | nM | 16.600000000000000 | 28.000000000000000 | S | N2 | 17360327 | Active | |||||
| Caenorhabditis elegans | 250.000000000000000 | nM | 0.000000000000000 | 2.600000000000000 | NS | N2 | 17360327 | Inactive |
Experimental Data Visualization
delta4-Dafachronic acid
Statistics Data
delta4-Dafachronic acid
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 16.600000000000000 | 28.000000000000000 | 1 | 2 |
Statistics Data Visualization
delta4-Dafachronic acid
