Compound Summary
Isoquercitrin
Compound Information
Isoquercitrin
Compound Name: | Isoquercitrin |
Compound CID: | 5280804 |
Synonyms: | Isoquercitrin Isoquercetin Hirsutrin 482-35-9 Quercetin 3-glucoside More... |
Iupac Name: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
InChI: | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
InChIKey: | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
Canonical Smiles: | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
Isomeric Smiles: | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
Molecular Weight: | 464.4 |
Molecular Formula: | C21H20O12 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Isoquercitrin
Molecular Weight: | 464.4 |
Molecular Formula: | C21H20O12 |
Hydrogen Bond Donor Count: | 8 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 33 |
Complexity: | 758 |
Synonyms
Isoquercitrin
| Isoquercitrin | Isoquercitrin |
|---|---|
Isoquercitrin |
Isoquercetin |
Hirsutrin |
482-35-9 |
Quercetin 3-glucoside |
Quercetin 3-o-glucopyranoside |
3-Glucosylquercetin |
Glucosyl 3-quercetin |
Quercetol 3-glucoside |
Quercetin 3-D-glucoside |
Quercetin 3-O-glucoside |
Quercetin 3-monoglucoside |
Quercetol 3-monoglucoside |
Isotrifoliin |
Quercetin 3-beta-glucoside |
Quercetin-3-O-glucopyranoside |
quercetin-3-glucoside |
Quercetin 3-beta-O-glucoside |
UNII-6HN2PC637T |
quercetin-3-O-glucoside |
3-beta-D-Glucosylquercetin |
6HN2PC637T |
CHEMBL250450 |
CHEBI:68352 |
MFCD00017746 |
NSC-407304 |
3,3,4,5,7-Pentahydroxyflavone 3-beta-glucoside |
CONTIGOSIDE B |
quercetin 3-O-beta-D-glucopyranoside |
quercetin 3-O-beta-D-glucoside |
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one |
SMR000466391 |
Quercetin 3-beta-D-glucoside |
NSC 115918 |
BRN 0100989 |
hydroside |
CCRIS 9340 |
Isoquercitrin (6) |
ACACIA |
3-glucoside isoquercitrin |
Quercetin 3--D-glucoside |
Quercetin 3-b-D-glucoside |
Quercetin 3-glucopyranoside |
Quercetin 3-ss-D-glucoside |
4-18-00-03493 (Beilstein Handbook Reference) |
MLS000759532 |
MLS001424096 |
Q 5 |
SCHEMBL181306 |
ACon1_002134 |
cid_5280804 |
cid_5378597 |
quercetin 3-O--D-glucofuranoside |
BDBM153265 |
HMS2051B17 |
quercetin-3-o-beta-glucopyranoside |
HY-N1445 |
ZINC4096845 |
BDBM50241354 |
PDSP1_001363 |
PDSP2_001347 |
s3842 |
AKOS015896729 |
CCG-100967 |
DB12665 |
MCULE-2852848721 |
NC00217 |
Quercetin-3-O-beta-D-galactopyranoside |
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside |
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)- |
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy- |
Quercetin 3-O-.beta.-D-glucopyranoside |
quercetin -3-O-beta-D-galactopyranoside |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one |
AS-35335 |
Quercetin 3-glucoside, analytical standard |
CS-0016884 |
V0296 |
C05623 |
AB00639942-06 |
Quercetin 3-beta-D-glucoside, >=90% (HPLC) |
3,3,4,5,7-Pentahydroxyflavone 3-A-glucoside |
A871939 |
3-Glucopyranosyloxy-3,4,5,7-tetrahydroxyflavone |
Q-100268 |
Q6086296 |
BRD-K73991644-001-01-7 |
3,3,4,5,7-pentahydroxyflavone-3-beta-O-glucoside |
Isoquercitrin, primary pharmaceutical reference standard |
2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one |
2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl b-D-glucopyranoside |
2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one |
2-(3,4-Dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxy-chromen-4-one |
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-phenyl)-3-(.beta.-D-glucofuranosyloxy)-5,7-dihydroxy- |
HW2 |
Experimental Data
Isoquercitrin
| 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 | 25.000000000000000 | umol/L | 15.800000000000000 | 19.400000000000000 | 0.230000000000000 | 29.300000000000000 | 31.300000000000000 | 0.070000000000000 | S | N2 | 23856528 | Active | |
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 15.800000000000000 | 16.600000000000000 | 0.050000000000000 | 29.300000000000000 | 27.700000000000000 | -0.050000000000000 | NS | N2 | 23856528 | Inactive | |
| Caenorhabditis elegans | 200.000000000000000 | umol/L | 15.800000000000000 | 13.100000000000000 | -0.170000000000000 | 29.300000000000000 | 26.400000000000000 | -0.100000000000000 | S | N2 | 23856528 | Inactive | |
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 15.800000000000000 | 16.600000000000000 | 0.050000000000000 | 29.300000000000000 | 26.800000000000000 | -0.090000000000000 | NS | N2 | 23856528 | Inactive | |
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 15.800000000000000 | 17.700000000000000 | 0.120000000000000 | 29.300000000000000 | 29.900000000000000 | 0.020000000000000 | S | N2 | 23856528 | Active | |
| Caenorhabditis elegans | 20.000000000000000 | ug/mL | 22.500000000000000 | 25.300000000000000 | 0.120000000000000 | S | N2 | 21563825 | Active |
Experimental Data Visualization
Isoquercitrin
Statistics Data
Isoquercitrin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.230000000000000 | 0.070000000000000 | 2 | 6 |
Statistics Data Visualization
Isoquercitrin
