Compound Summary
Compound Information
Charantagenin E
Compound Name: | Charantagenin E |
Compound CID: | 101567346 |
Synonyms: | Charantagenin E More... |
Iupac Name: | (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(2R,4S)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol |
InChI: | InChI=1S/C38H62O9/c1-21(2)18-23(43-8)19-22(3)24-12-14-36(7)26-13-15-38-27(37(26,33(44-9)47-38)17-16-35(24,36)6)10-11-28(34(38,4)5)46-32-31(42)30(41)29(40)25(20-39)45-32/h13,15,18,22-33,39-42H,10-12,14,16-17,19-20H2,1-9H3/t22-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,35-,36+,37+,38+/m1/s1 |
InChIKey: | YDOSNHSZOCLBFE-PHGKIUKSSA-N |
Canonical Smiles: | CC(CC(C=C(C)C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4OC)C)C |
Isomeric Smiles: | C[C@H](C[C@@H](C=C(C)C)OC)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@@]5([C@H]3CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]4OC)C)C |
Molecular Weight: | 662.9 |
Molecular Formula: | C38H62O9 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Charantagenin E
Molecular Weight: | 662.9 |
Molecular Formula: | C38H62O9 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 47 |
Complexity: | 1220 |
Synonyms
Charantagenin E
| Charantagenin E | Charantagenin E |
|---|---|
Charantagenin E |
Experimental Data
Charantagenin E
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Saccharomyces cerevisiae | 1 | umol/L | 7.7 | 9.68 | 0.26 | S | K6001 | 29765490 | Active | ||||
| Saccharomyces cerevisiae | 3 | umol/L | 7.7 | 9.75 | 0.27 | S | K6001 | 29765490 | Active |
Experimental Data Visualization
Charantagenin E
Statistics Data
Charantagenin E
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Saccharomyces cerevisiae | 0.27 | 1 | 2 |
Statistics Data Visualization
Charantagenin E
