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Synonyms
(2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one | Flavanomarein | Q63392622 | 2-(3,4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl hexopyranoside | DTX
Storage
Store at 2-8°C,Protected from light
Specifications Synonyms
(2S)-2-(3, 4-dihydroxyphenyl)-8-hydroxy-7-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2, 3-dihydrochromen-4-one | Flavanomarein | Q63392622 | 2-(3, 4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3, 4-dihydro-2H-1-benzopyran-7-yl hexopyranoside | DTX
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504756493 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756493 Canonical Smiles C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O IUPAC Name (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one InChIKey DGGOLFCPSUVVHX-RTHJTPBESA-N INCHI 1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14-,15+,16+,18-,19+,21+/m0/s1 Isomeric SMILES C1[C@H](OC2=C(C1=O)C=CC(=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O PubChem CID 101781 Molecular Weight 450.39
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Flavonoids Subclass Flavonoid glycosides Intermediate Tree Nodes Flavonoid O-glycosides Direct Parent Flavonoid-7-O-glycosides Alternative Parents 3'-hydroxyflavonoids 4'-hydroxyflavonoids 8-hydroxyflavonoids Flavanones Phenolic glycosides Hexoses O-glycosyl compounds Chromones Catechols Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Benzene and substituted derivatives Secondary alcohols Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Primary alcohols Molecular Framework Aromatic heteropolycyclic compounds Substituents Flavonoid-7-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 8-hydroxyflavonoid - Flavanone - Hydroxyflavonoid - Flavan - Phenolic glycoside - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Chromane - Benzopyran - 1-benzopyran - Catechol - Aryl alkyl ketone - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Ketone - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Polyol - Acetal - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary alcohol - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Light sensitive Melt Point(°C) 243-246° C Molecular Weight 450.400 g/mol XLogP3 -0.300 Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 4 Exact Mass 450.116 Da Monoisotopic Mass 450.116 Da Topological Polar Surface Area 186.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 662.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 6 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
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