Compound Summary
Compound Information
Amarogentin
Compound Name: | Amarogentin |
Compound CID: | 115149 |
Synonyms: | Amarogentin UNII-5L82GT5I0W 5L82GT5I0W sweroside-2-(3,5,3-trihydroxydiphenyl)-2-carboxylic acid ester (2S,3R,4S,5S,6R)-2-(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano3,4-cpyran-3-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate More... |
Iupac Name: | [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate |
InChI: | InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1 |
InChIKey: | DBOVHQOUSDWAPQ-WTONXPSSSA-N |
Canonical Smiles: | C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O |
Isomeric Smiles: | C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O |
Molecular Weight: | 586.5 |
Molecular Formula: | C29H30O13 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Amarogentin
Molecular Weight: | 586.5 |
Molecular Formula: | C29H30O13 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 13 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 42 |
Complexity: | 1020 |
Synonyms
Amarogentin
| Amarogentin | Amarogentin |
|---|---|
Amarogentin |
UNII-5L82GT5I0W |
5L82GT5I0W |
sweroside-2-(3,5,3-trihydroxydiphenyl)-2-carboxylic acid ester |
(2S,3R,4S,5S,6R)-2-(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano3,4-cpyran-3-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate |
(4aR)-5t-ethenyl-6c-O(2)-(3,5,3-trihydroxybiphenyl-2-ylcarbonyl)-beta-D-glucopyranosyloxy-4,4ar,5,6-tetrahydro-3H-pyrano3,4-cpyran-1-one" |
(4aS,5R,6S)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano3,4-cpyran-6-yl- 2-O-(3,3,5-trihydroxybiphenyl-2-yl)carbonyl-beta-D-glucopyranoside |
C09767 |
CHEBI:2622 |
SCHEMBL1031187 |
HY-N2447 |
ZINC3982136 |
s1273 |
AKOS015896722 |
MCULE-2282257873 |
CS-0022673 |
Q3613679 |
2-(4aS-(4aalpha,5beta,6alpha))-3,3,5-Trihydroxy-(1,1-biphenyl)-2-carboxylate" |
(1,1-Biphenyl)-2-carboxylic acid, 3,3,5-trihydroxy-, 2-ester with 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one, (4aS-(4aalpha,5beta,6alpha))-" |
1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((2-O-((3,3,5-trihydroxy(1,1-biphenyl)-2-yl)carbonyl)-beta-D-glucopyranosyl)oxy)-, (4aS,5R,6S)-" |
Experimental Data
Amarogentin
| 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 | 7.8 | 9.8 | 0.26 | S | K6001 | 32831994 | Active | ||||
| Saccharomyces cerevisiae | 20 | umol/L | 7.8 | 8.1 | 0.04 | NS | K6001 | 32831994 | Inactive | ||||
| Saccharomyces cerevisiae | 3 | umol/L | 7.8 | 10.6 | 0.36 | S | K6001 | 32831994 | Active | ||||
| Saccharomyces cerevisiae | 10 | umol/L | 7.8 | 9.8 | 0.26 | S | K6001 | 32831994 | Active |
Experimental Data Visualization
Amarogentin
Statistics Data
Amarogentin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Saccharomyces cerevisiae | 0.36 | 1 | 4 |
Statistics Data Visualization
Amarogentin
