Compound Summary
Compound Information
ascr#3
Compound Name: | ascr#3 |
Compound CID: | 16066476 |
Synonyms: | ascr#3 CHEBI:78821 946524-26-1 (-)-8R-(Tetrahydro-3R,5R-dihydroxy-6S-methyl-2H-pyran-2R-yloxy)-2E-nonenoic acid 2-Nonenoic acid, 8-(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy-, (2E,8R)- More... |
Iupac Name: | (E,8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxynon-2-enoic acid |
InChI: | InChI=1S/C15H26O6/c1-10(7-5-3-4-6-8-14(18)19)20-15-13(17)9-12(16)11(2)21-15/h6,8,10-13,15-17H,3-5,7,9H2,1-2H3,(H,18,19)/b8-6+/t10-,11+,12-,13-,15-/m1/s1 |
InChIKey: | MWGRRKDIJLJLMO-OSYKULTDSA-N |
Canonical Smiles: | CC1C(CC(C(O1)OC(C)CCCCC=CC(=O)O)O)O |
Isomeric Smiles: | C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCC/C=C/C(=O)O)O)O |
Molecular Weight: | 302.36 |
Molecular Formula: | C15H26O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ascr#3
Molecular Weight: | 302.36 |
Molecular Formula: | C15H26O6 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 21 |
Complexity: | 343 |
Synonyms
ascr#3
| ascr#3 | ascr#3 |
|---|---|
ascr#3 |
CHEBI:78821 |
946524-26-1 |
(-)-8R-(Tetrahydro-3R,5R-dihydroxy-6S-methyl-2H-pyran-2R-yloxy)-2E-nonenoic acid |
2-Nonenoic acid, 8-(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy-, (2E,8R)- |
(R,E)-8-(((2R,3R,5R,6S)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)non-2-enoic acid |
ascaroside C9 |
daumone-3 |
MLS002279963 |
CHEMBL1221889 |
SCHEMBL13935042 |
HMS2206B12 |
HY-N6977 |
SMR001318100 |
CS-0101358 |
Q27147975 |
(R)-8-(3-Deoxy-alpha-L-rhamnopyranosyloxy)-2-nonenoic acid |
(2E,8R)-8-(3,6-Dideoxy-alpha-L-mannopyranosyloxy)-2-nonenoic acid |
(-)-8R-(3R,5R-dihydroxy-6S-methyl-(2H)-tetrahydropyran-2-yloxy)-2E-nonenoic acid |
(2E,8R)-8-(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxynon-2-enoic acid |
Experimental Data
ascr#3
| 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 | 400 | nM | 21 | S | N2 | 23509272 | Active |
Experimental Data Visualization
ascr#3
Statistics Data
ascr#3
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 21 | 1 | 1 |
Statistics Data Visualization
ascr#3
