Compound Summary
Compound Information
SILYMARIN
Compound Name: | SILYMARIN |
Compound CID: | 5213 |
Synonyms: | SILYMARIN Legalon 65666-07-1 Flavobin Spofa Silymarine I More... |
Iupac Name: | 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(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)33-16-5-3-12(7-18(16)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 |
InChIKey: | SEBFKMXJBCUCAI-UHFFFAOYSA-N |
Canonical Smiles: | COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
Isomeric Smiles: | COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(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
SILYMARIN
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
SILYMARIN
| SILYMARIN | SILYMARIN |
|---|---|
SILYMARIN |
Legalon |
65666-07-1 |
Flavobin Spofa |
Silymarine I |
Silybin;Silibinin A;Silymarin I |
(2R,3R)-3,5,7-trihydroxy-2-(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydrochromen-4-one |
3,5,7-trihydroxy-2-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-3,4-dihydro-2H-1-benzopyran-4-one |
Milk thistle extract |
Silimarin |
Silybin (7CI) |
3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzob1,4dioxin-6-yl)chroman-4-one |
3,5,7-trihydroxy-2-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl-2,3-dihydro-4H-chromen-4-one |
SMR000058272 |
SR-01000000093 |
Silibin |
Silmyarin |
MFCD00872186 |
Silibinin, INN |
Silymarin,(S) |
Silybum substance E6 |
MLS000028529 |
MLS006011786 |
SCHEMBL678427 |
CHEMBL1401508 |
CHEBI:125451 |
HMS1608M08 |
HMS2232P05 |
HMS3372B20 |
HMS3373N17 |
HMS3656K09 |
BCP30337 |
BBL027841 |
BDBM50218276 |
CS0055 |
STK396325 |
AKOS000546856 |
MCULE-7201821938 |
NCGC00018179-02 |
NCGC00018179-03 |
NCGC00018179-04 |
NCGC00089738-02 |
NCGC00089738-03 |
3,5,7-trihydroxy-2-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ylchroman-4-one |
SY067261 |
VS-08600 |
FT-0656490 |
FT-0674587 |
FT-0775414 |
C07610 |
Silybin; Silibinin A; Silymarin I; Silymarine I |
SR-01000000093-5 |
SR-01000000093-6 |
SR-01000000093-7 |
SR-01000000093-8 |
SR-01000000093-9 |
Q27216069 |
142796-20-1 |
2-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl-3,5,7-trihydroxy-2,3-dihydro-4H-1-benzopyran-4-one |
Experimental Data
SILYMARIN
| 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 | 22 | 23 | 0.05 | S | N2 | 28039083 | Active | ||||
| Caenorhabditis elegans | 10 | umol/L | 4.55 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 25 | umol/L | 10.08 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 50 | umol/L | 22 | 25 | 0.14 | S | N2 | 28039083 | Active | ||||
| Caenorhabditis elegans | 50 | umol/L | 24.8 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 100 | umol/L | -8.95 | S | N2 | 33683565 | Inactive | ||||||
| Caenorhabditis elegans | 50 | umol/L | 13.64 | S | N2 | 33683565 | Active |
Experimental Data Visualization
SILYMARIN
Statistics Data
SILYMARIN
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 24.8 | 2 | 7 |
Statistics Data Visualization
SILYMARIN
