Compound Summary
Compound Information
Ferulsinaic acid
Compound Name: | Ferulsinaic acid |
Compound CID: | 102469382 |
Synonyms: | Ferulsinaic acid (-)-ferulsinaic acid CHEBI:180832 3-(1R,2R,3S,5S)-1,3-dimethyl-5-(2-methylprop-1-en-1-yl)-2-{(2-oxo-2H-1-benzopyran-7-yl)oxymethyl}cyclopentylpropanoic acid 3-(1R,2R,3S,5S)-1,3-dimethyl-5-(2-methylprop-1-en-1-yl)-2-{(2-oxo-2H-chromen-7-yl)oxymethyl}cyclopentylpropanoic acid More... |
Iupac Name: | 3-[(1R,2R,3S,5S)-1,3-dimethyl-5-(2-methylprop-1-enyl)-2-[(2-oxochromen-7-yl)oxymethyl]cyclopentyl]propanoic acid |
InChI: | InChI=1S/C24H30O5/c1-15(2)11-18-12-16(3)20(24(18,4)10-9-22(25)26)14-28-19-7-5-17-6-8-23(27)29-21(17)13-19/h5-8,11,13,16,18,20H,9-10,12,14H2,1-4H3,(H,25,26)/t16-,18+,20+,24+/m0/s1 |
InChIKey: | OFSGQKZUVVKFEX-XXDRUXBBSA-N |
Canonical Smiles: | CC1CC(C(C1COC2=CC3=C(C=C2)C=CC(=O)O3)(C)CCC(=O)O)C=C(C)C |
Isomeric Smiles: | C[C@H]1C[C@H]([C@@]([C@@H]1COC2=CC3=C(C=C2)C=CC(=O)O3)(C)CCC(=O)O)C=C(C)C |
Molecular Weight: | 398.5 |
Molecular Formula: | C24H30O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Ferulsinaic acid
Molecular Weight: | 398.5 |
Molecular Formula: | C24H30O5 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 29 |
Complexity: | 677 |
Synonyms
Ferulsinaic acid
| Ferulsinaic acid | Ferulsinaic acid |
|---|---|
Ferulsinaic acid |
(-)-ferulsinaic acid |
CHEBI:180832 |
3-(1R,2R,3S,5S)-1,3-dimethyl-5-(2-methylprop-1-en-1-yl)-2-{(2-oxo-2H-1-benzopyran-7-yl)oxymethyl}cyclopentylpropanoic acid |
3-(1R,2R,3S,5S)-1,3-dimethyl-5-(2-methylprop-1-en-1-yl)-2-{(2-oxo-2H-chromen-7-yl)oxymethyl}cyclopentylpropanoic acid |
934822-64-7 |
Experimental Data
Ferulsinaic acid
| 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 | 500 | umol/L | 18.64 | 19 | 1.9 | 24 | 26 | 8.33 | NS | N2 | 21749391 | Inactive | |
| Caenorhabditis elegans | 100 | umol/L | 18.64 | 22.3 | 18.03 | 24 | 34 | 41.6 | S | N2 | 21749391 | Active | |
| Caenorhabditis elegans | 10 | umol/L | 18.64 | 20.75 | 11.37 | 24 | 30 | 25 | S | N2 | 21749391 | Active |
Experimental Data Visualization
Ferulsinaic acid
Statistics Data
Ferulsinaic acid
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 18.03 | 41.6 | 1 | 3 |
Statistics Data Visualization
Ferulsinaic acid
