Luteolin 7-rutinoside

Base Information

• Chemical Name: Luteolin 7-rutinoside
• CAS No.: 20633-84-5
• Molecular Formula: C₂₇H₃₀O₁₅
• Molecular Weight: 594.526
• UNII: LDM9NL7QUS
• DSSTox Substance ID: DTXSID201313731
• Nikkaji Number: J987.765G
• Wikidata: Q104394905
• Metabolomics Workbench ID: 124244
• ChEMBL ID: CHEMBL1714943
• Mol file: 20633-84-5.mol

Synonyms:20633-84-5;Scolimoside;Skolimoside;7-Rutinosylluteolin;Luteolin 7-rutinoside;MLS002473221;LDM9NL7QUS;Luteolin 7-O-rutinoside;luteolin-7-O-beta-rutinoside;SMR001397309;2-(3,4-dihydroxyphenyl)-5-hydroxy-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]oxychromen-4-one;2-(3,4-Dihydroxyphenyl)-5-hydroxy-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)oxychromen-4-one;UNII-LDM9NL7QUS;CHEMBL1714943;SCHEMBL23870123;BDBM94850;cid_10461109;DTXSID201313731;HMS2205K19;EX-A6772;HY-N6647;AKOS040733634;LS-39519;LUTEOLIN-7-O-.BETA.-D-RUTINOSIDE;MS-30557;CS-0066966;Luteolin 7-rutinoside, >=95% (LC/MS-ELSD);SR-01000870981;SR-01000870981-2;Luteolin 7-o-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside;LUTEOLIN 7-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE;2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone;2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one;2-[3,4-bis(oxidanyl)phenyl]-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one;4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-;4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-

Chemical Property of Luteolin 7-rutinoside

Chemical Property:

• Melting Point: 192-196 °C
• Boiling Point: 954.0±65.0 °C(Predicted)
• PKA: 6.10±0.40(Predicted)
• Density: 1.76±0.1 g/cm3(Predicted)
• Storage Temp.: ?20°C
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 594.15847025
• Heavy Atom Count: 42
• Complexity: 979

Purity/Quality:

99%, ^*data from raw suppliers

Luteolin7-O-Rutinoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)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(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
• Uses: Luteolin 7-O-Rutinoside acts as a metalloprotease inhibitor and is extracted as a component of flowering plants. Luteolin 7-O-Rutinoside is one such flavonoid additionally providing antigenotoxic activity.