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Aloin - 97%, high purity , CAS No.1415-73-2
Antihistamine, antioxidant and antiproliferation agent
Basic Description
Synonyms
ALOIN A [MI] | CROPROPAMIDE [MART.] | NSC 227189 | s2375 | AKOS022168218 | Barbaloin A | BRN 1745755 | DTXCID8025967 | EINECS 215-808-0 | FT-0772660 | HY-N0123 | NCGC00183867-02 | 1,8-Dihydroxy-10-(beta-D-glucopyranosyl)-3-(hydroxymethyl)-9(10H)-anthracen
Specifications & Purity
≥97%
Biochemical and Physiological Mechanisms
Antihistamine, antioxidant and antiproliferation agent. Inhibits histamine release from mast cells. Reduces TNF-α, IL-1β and LTB4 levels. Antiproliferation (IC 50 = 97 µM, HeLaS3). Shows anti-inflammatory effects in vivo . Orally active.
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description
A natural product Aloe isolate
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anthracenes
Alternative Parents
Hexoses C-glycosyl compounds Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Vinylogous acids Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracene - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Oxane - Vinylogous acid - Ketone - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic alcohol - Organooxygen compound - Primary alcohol - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
External Descriptors
Anthrone type
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(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
Pubchem Sid
504767052
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504767052
IUPAC Name
(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
INCHI
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1
InChIKey
AFHJQYHRLPMKHU-OSYMLPPYSA-N
Smiles
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO
Isomeric SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO
WGK Germany
3
RTECS
LZ6520000
Molecular Weight
418.39
Beilstein
6077558
Reaxy-Rn
25113924
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25113924&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water (1 mg/ml at 25 °C), DMSO (84 mg/ml at 25 °C), ethanol (2 mg/ml at 25 °C), and methanol (50 mg/ml).
Melt Point(°C)
148-149°C
Molecular Weight
418.400 g/mol
XLogP3
-0.100
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
3
Exact Mass
418.126 Da
Monoisotopic Mass
418.126 Da
Topological Polar Surface Area
168.000 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
630.000
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
Citations of This Product
1.
Xiaozhang Ying, Congcong Yu, Wentao Yang, Lin Ye, Rongtai Sun, Tianyuan Gu, Shunwu Fan, Shasha Yao.
(2024)
The transformation of multifunctional bio-patch to hydrogel on skin wounds for efficient scarless wound healing. Materials Today Bio,
24
(100901).
2.
Zhi-feng Cai, Chen-hua Deng, Jiao Wang, Yao Zuo, Jing-long Wu, Xiao-peng Wang, Tian-zhi Lv, Yuan-yuan Wang, Deng-yun Feng, Jie Zhao, Cai-feng Zhang, Ji-ming Zhang.
(2021)
Sensitive and selective determination of aloin with highly stable histidine-capped silver nanoclusters based on the inner filter effect. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,
627
(127224).
3.
Shen Zhang, Meiqi Bai, Jing Qian, Yuyu Guo.
(2021)
Water-soluble luminescent gold nanoclusters reduced and protected by histidine for sensing of barbaloin and temperature. MICROCHEMICAL JOURNAL,
169
(106564).
4.
Qinrun Lai, Hong Wang, Xinbo Guo, Arshad Mehmood Abbasi, Taixia Wang, Tong Li, Xiong Fu, Jingyuan Li, Rui Hai Liu.
(2016)
Comparison of phytochemical profiles, antioxidant and cellular antioxidant activities of seven cultivars of Aloe. INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY,
51
(6):
(1489-1494).
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4 Citations
K2419202