Mearnsitrin

Base Information

• Chemical Name: Mearnsitrin
• CAS No.: 30484-88-9
• Molecular Formula: C22H22 O12
• Molecular Weight: 478.40288
• DSSTox Substance ID: DTXSID301318239
• Nikkaji Number: J94.572B
• Wikidata: Q105176475
• Metabolomics Workbench ID: 130449
• ChEMBL ID: CHEMBL3109438
• Mol file: 30484-88-9.mol

Synonyms:Mearnsitrin;30484-88-9;2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one;CHEMBL3109438;Mearncitrin;Mearnsetin 3-rhamnoside;Myricetin 4'-methyl ether-3-O-rhamnoside;MEGxp0_000937;ACon1_001228;CHEBI:167827;DTXSID301318239;BDBM50446574;AKOS032962125;FS-9736;Mearnsitrin, >=95% (LC/MS-ELSD);NCGC00169555-01;BRD-K00587908-001-01-2

Chemical Property of Mearnsitrin

Chemical Property:

• PSA: 199.51000
• LogP: 0.49730
• Storage Temp.: ?20°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 478.11112613
• Heavy Atom Count: 34
• Complexity: 776

Purity/Quality:

98%min ^*data from raw suppliers

Mearnsitrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)OC)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)OC)O)O)O)O
• Uses: Mearnsitrin is a flavonoid isolated from the stems of Emilia sonchifolia DC. and is known to be a natural antioxidant.

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