Compound Summary
Compound Information
verminoside
Compound Name: | verminoside |
Compound CID: | 12000883 |
Synonyms: | verminoside 50932-19-9 (1S,2S,4S,5S,6R,10S)-2-(Hydroxymethyl)-10-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxy-3,9-dioxatricyclo4.4.0.02,4dec-7-en-5-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (1aS)-6alpha-(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyloxy-1a,1balpha,2,5aalpha,6,6abeta-hexahydro-1a-hydroxymethyloxireno4,5cyclopenta1,2-cpyran-2alpha-ylbeta-D-glucopyranoside CHEBI:69799 More... |
Iupac Name: | [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
InChI: | InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2+/t11-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1 |
InChIKey: | MZQXNUBTVLKMLP-QOEJBJAYSA-N |
Canonical Smiles: | C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C=CC4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O |
Isomeric Smiles: | C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
Molecular Weight: | 524.5 |
Molecular Formula: | C24H28O13 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
verminoside
Molecular Weight: | 524.5 |
Molecular Formula: | C24H28O13 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 13 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 37 |
Complexity: | 896 |
Synonyms
verminoside
| verminoside | verminoside |
|---|---|
verminoside |
50932-19-9 |
(1S,2S,4S,5S,6R,10S)-2-(Hydroxymethyl)-10-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxy-3,9-dioxatricyclo4.4.0.02,4dec-7-en-5-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
(1aS)-6alpha-(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyloxy-1a,1balpha,2,5aalpha,6,6abeta-hexahydro-1a-hydroxymethyloxireno4,5cyclopenta1,2-cpyran-2alpha-ylbeta-D-glucopyranoside |
CHEBI:69799 |
HY-N1094 |
ZINC67912123 |
MCULE-6297417833 |
NCGC00385664-01 |
XV171960 |
CS-0016382 |
Q27138140 |
NCGC00385664-01_C24H28O13_(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno4,5cyclopenta1,2-cpyran-6-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate |
Experimental Data
verminoside
| 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 | 50 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 5 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 25 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 50 | umol/L | 8.54 | S | N2 | 26189547 | Active | ||||||
| Caenorhabditis elegans | 25 | umol/L | 20.79 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 25 | umol/L | 20.79 | S | N2 | 26189547 | Active | ||||||
| Caenorhabditis elegans | 50 | umol/L | 8.54 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 5 | umol/L | 9.84 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 5 | umol/L | 9.84 | S | N2 | 26189547 | Active |
Experimental Data Visualization
verminoside
Statistics Data
verminoside
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 20.79 | 2 | 9 |
Statistics Data Visualization
verminoside
