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Arctiin - 10mM in DMSO, high purity , CAS No.20362-31-6
Basic Description
Synonyms
Arctiin | 20362-31-6 | Arctigenin-4-glucoside | Arctii | NSC 315527 | (-)-Arctiin | UNII-TM5RQ949K7 | CCRIS 8412 | TM5RQ949K7 | CHEBI:80793 | NSC-315527 | 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-tran
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Lignan glycosides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Lignan glycosides
Alternative Parents
Dibenzylbutyrolactone lignans Lignan lactones Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Alkyl glycosides O-glycosyl compounds Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Oxanes Monosaccharides Gamma butyrolactones Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Lignan glycoside - Dibenzylbutyrolactone - Lignan lactone - Tetrahydrofuran lignan - 9,9p-epoxylignan - Furanoid lignan - Phenolic glycoside - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Fatty acyl - Oxane - Monocyclic benzene moiety - Monosaccharide - Gamma butyrolactone - Benzenoid - Tetrahydrofuran - Secondary alcohol - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones.
External Descriptors
Lignan glycosides
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
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
INCHI
InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
InChIKey
XOJVHLIYNSOZOO-SWOBOCGESA-N
Smiles
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC
Isomeric SMILES
COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC
PubChem CID
100528
Molecular Weight
534.55
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
534.600 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
10
Exact Mass
534.21 Da
Monoisotopic Mass
534.21 Da
Topological Polar Surface Area
153.000 Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
753.000
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
Citations of This Product
1.
Jiatao Mao, Wenqing Ruan, Qing Chen.
(2020)
Understanding the Aqueous Solubility of Anthraquinone Sulfonate Salts: The Quest for High Capacity Electrolytes of Redox Flow Batteries. JOURNAL OF THE ELECTROCHEMICAL SOCIETY,
167
(7):
(70522).
2.
Nai-Chang Hou, Hui-Hui Gao, Zhao-Jie Qiu, Yan-Hong Deng, Ya-Ting Zhang, Zi-Cheng Yang, Ling-Biao Gu, Hua-Min Liu, Xin-Liang Zhu, Zhao Qin, Xue-De Wang.
(2024)
Quality and active constituents of safflower seed oil: A comparison of cold pressing, hot pressing, Soxhlet extraction and subcritical fluid extraction. LWT-FOOD SCIENCE AND TECHNOLOGY,
200
(116184).
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2 Citations