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Isorhamnetin-3-O-nehesperidine - 10mM in DMSO, high purity , CAS No.55033-90-4
Basic Description
Synonyms
55033-90-4 | Isorhamnetin-3-O-neohespeidoside | Isorhamnetin-3-O-nehesperidine | Isorhamnetin 3-O-neohesperoside | CALENDOFLAVOSIDE | Isorhamnetin 3-O-neohesperidin | isorhamnetin 3-O-neohesperidoside | 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Flavonoid-3-O-glycosides
Alternative Parents
3'-O-methylated flavonoids 7-hydroxyflavonoids Flavones 5-hydroxyflavonoids 4'-hydroxyflavonoids Chromones Disaccharides O-glycosyl compounds Methoxyphenols Anisoles Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Chromone - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - Methoxyphenol - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Pyranone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Oxacycle - Ether - Polyol - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
INCHI
InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,26+,27-,28-/m0/s1
InChIKey
QHLKSZBFIJJREC-SPSUIZEHSA-N
Smiles
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)CO)O)O)O)O)O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)CO)O)O)O)O)O
Molecular Weight
624.54
Reaxy-Rn
25328796
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25328796&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
624.500 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
9
Hydrogen Bond Acceptor Count
16
Rotatable Bond Count
7
Exact Mass
624.169 Da
Monoisotopic Mass
624.169 Da
Topological Polar Surface Area
255.000 Ų
Heavy Atom Count
44
Formal Charge
0
Complexity
1040.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
10
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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