Compound Summary
Compound Information
Isosilybin A
Compound Name: | Isosilybin A |
Compound CID: | 11059920 |
Synonyms: | Isosilybin A Isosilibinin A UNII-HHN3Q9H3DK Isosilybin 142796-21-2 More... |
Iupac Name: | (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one |
InChI: | InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1 |
InChIKey: | FDQAOULAVFHKBX-HKTJVKLFSA-N |
Canonical Smiles: | COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
Isomeric Smiles: | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=CC(=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
Molecular Weight: | 482.4 |
Molecular Formula: | C25H22O10 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Isosilybin A
Molecular Weight: | 482.4 |
Molecular Formula: | C25H22O10 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 35 |
Complexity: | 750 |
Synonyms
Isosilybin A
| Isosilybin A | Isosilybin A |
|---|---|
Isosilybin A |
Isosilibinin A |
UNII-HHN3Q9H3DK |
Isosilybin |
142796-21-2 |
HHN3Q9H3DK |
(2R,3R)-3,5,7-trihydroxy-2-(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydrochromen-4-one |
Iso-silybin A |
Silybin B2 |
72581-71-6 |
Isosilybin A + B |
CHEMBL592676 |
SCHEMBL20152105 |
DTXSID20453675 |
HY-N7043 |
BDBM50526629 |
ZINC17044430 |
4H-1-Benzopyran-4-one, 2-((2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)- |
CS-0101837 |
Q27279939 |
(2R,3R)-3,5,7-Trihydroxy-2-((2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzob1,4dioxin-6-yl)chroman-4-one |
Experimental Data
Isosilybin A
| 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 | 10 | umol/L | 6.68 | S | N2 | 33683565 | Active |
Experimental Data Visualization
Isosilybin A
Statistics Data
Isosilybin A
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6.68 | 1 | 1 |
Statistics Data Visualization
Isosilybin A
