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Urolignoside - >98%, high purity , CAS No.131723-83-6
Basic Description
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
2-arylbenzofuran flavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
2-arylbenzofuran flavonoids
Alternative Parents
Lignan glycosides Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Alkyl glycosides O-glycosyl compounds Benzofurans Coumarans Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Oxanes Monosaccharides Secondary alcohols Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-arylbenzofuran flavonoid - Lignan glycoside - Norlignan skeleton - Neolignan skeleton - Phenolic glycoside - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Coumaran - Benzofuran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Oxane - Benzenoid - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Polyol - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
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)
Associated Targets(non-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
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
INCHI
InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24+,26+/m0/s1
InChIKey
NYAPVWGUAUDHRY-KUCLMONLSA-N
Smiles
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)CCCO
Isomeric SMILES
COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)CCCO
Alternate CAS
131723-83-6
PubChem CID
10602086
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
522.500 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
10
Exact Mass
522.21 Da
Monoisotopic Mass
522.21 Da
Topological Polar Surface Area
168.000 Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
697.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
7
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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