Compound Summary
Didymin
Compound Information
Didymin
Compound Name: | Didymin |
Compound CID: | 16760075 |
Synonyms: | Didymin 14259-47-3 Neoponcirin Isosakuranetin-7-O-rutinoside UNII-02Q5OS3TU3 More... |
Iupac Name: | (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
InChI: | InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
InChIKey: | RMCRQBAILCLJGU-HIBKWJPLSA-N |
Canonical Smiles: | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O |
Isomeric Smiles: | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O |
Molecular Weight: | 594.6 |
Molecular Formula: | C28H34O14 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Didymin
Molecular Weight: | 594.6 |
Molecular Formula: | C28H34O14 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 14 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 42 |
Complexity: | 900 |
Synonyms
Didymin
| Didymin | Didymin |
|---|---|
Didymin |
14259-47-3 |
Neoponcirin |
Isosakuranetin-7-O-rutinoside |
UNII-02Q5OS3TU3 |
02Q5OS3TU3 |
(2S)-5-hydroxy-2-(4-methoxyphenyl)-7-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxymethyloxan-2-yloxy-2,3-dihydrochromen-4-one |
(S)-7-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one |
Q63399321 |
(S)-7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one |
Isosakuranetin-7-beta-rutinoside |
EINECS 238-139-6 |
Didymin, analytical standard |
Iso-sakuranetin-7-putinoside |
SCHEMBL497764 |
CHEBI:176179 |
HY-N2068 |
6975AA |
MFCD00151177 |
s9235 |
ZINC67903318 |
AKOS016010158 |
CCG-270180 |
NCGC00163539-01 |
AC-34874 |
AS-75739 |
CS-0018573 |
259D473 |
A885172 |
SR-05000002279 |
SR-05000002279-2 |
(S)-5-hydroxy-2-(4-methoxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)chroman-4-one |
Experimental Data
Didymin
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 0.050000000000000 | mM | 18.000000000000000 | 18.000000000000000 | 0.000000000000000 | NS | N2 | 30643686 | Inactive | ||||
| Caenorhabditis elegans | 0.100000000000000 | mM | 18.000000000000000 | 19.000000000000000 | 0.060000000000000 | S | N2 | 30643686 | Active | ||||
| Caenorhabditis elegans | 0.200000000000000 | mM | 18.000000000000000 | 18.000000000000000 | 0.000000000000000 | NS | N2 | 30643686 | Inactive | ||||
| Caenorhabditis elegans | 1.000000000000000 | mM | 18.000000000000000 | 17.000000000000000 | -0.060000000000000 | NS | N2 | 30643686 | Inactive | ||||
| Caenorhabditis elegans | 0.500000000000000 | mM | 18.000000000000000 | 17.000000000000000 | -0.060000000000000 | NS | N2 | 30643686 | Inactive |
Experimental Data Visualization
Didymin
Statistics Data
Didymin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.060000000000000 | 1 | 5 |
Statistics Data Visualization
Didymin
