Mearnsitrin - ≥95%(LC/MS-ELSD) , CAS No.30484-88-9

CAS: 30484-88-9 Cat. No.: M169428 Formula: C₂₂H₂₂O₁₂ Peso molecolare: 478.4 PubChem CID: 6918652

GRADE & PURITY ≥95%(LC/MS-ELSD)

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_

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Product Describtion:

Natural product derived from plant source.

Specifications

Sinonimi

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_

Specifiche e purezza

≥95%(LC/MS-ELSD)

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%(LC/MS-ELSD)

Nomi e identificatori

• Sorrisi canonici: 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
• IUPAC Name: 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
• InChIKey: NAQNISJXKDSYJD-DHWIRCOFSA-N
• INCHI: 1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1
• Isomeri 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
• PubChem CID: 6918652
• Peso molecolare: 478.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid-3-O-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides
• Direct Parent: Flavonoid-3-O-glycosides
• Alternative Parents: 4'-O-methylated flavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids Flavones 3'-hydroxyflavonoids Hexoses Chromones O-glycosyl compounds Methoxyphenols Methoxybenzenes Phenoxy compounds Resorcinols Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-3-o-glycoside - 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Chromone - 1-benzopyran - Methoxyphenol - Benzopyran - Phenoxy compound - Resorcinol - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Monosaccharide - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Acetal - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 478.400 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 478.111 Da
• Monoisotopic Mass: 478.111 Da
• Topological Polar Surface Area: 196.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 776.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1