Basic Description

Synonyms	Escin \| beta-Escin \| Aescin \| 6805-41-0 \| AESCINE \| 11072-93-8 \| MLS002695979 \| SMR000127404 \| (2S,3S,4S,5R,6R)-6-[[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads
Product Description	Escin, a natural mixture of triterpenoid saponins isolated from horse chestnut (Aesculus hippocastanum) seeds, is used and studied as a vasoprotective anti-inflammatory, anti-edematous and antinociceptive agent.

Associated Targets(Human)

CCR6 Tchem C-C chemokine receptor type 6 (388 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Aplnr Apelin receptor (201 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
INCHI	InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/m1/s1
InChi Key	AXNVHPCVMSNXNP-YSYFQUGBSA-N
Canonical SMILES	CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C
Isomeric SMILES	C/C=C(\C)/C(=O)OC1[C@@H](C2([C@@H](C[C@@]3(C(=CCC4C3(CCC5C4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C
WGK Germany	2
RTECS	KF6296000
PubChem CID	16211024
Molecular Weight	1131.26

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Pictogram(s)	GHS09, GHS07
Signal	Warning
Hazard Statements	H319:Causes serious eye irritation H335:May cause respiratory irritation H411:Toxic to aquatic life with long lasting effects H302:Harmful if swallowed H332:Harmful if inhaled
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P391:Collect spillage. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	2
RTECS	KF6296000

1. Da Wang, Luping Sha, Chen Xu, Ying Huang, Chengcheng Tang, Tingting Xu, Xianzhe Li, Donghua Di, Jie Liu, Li Yang. (2022) Natural saponin and cholesterol assembled nanostructures as the promising delivery method for saponin. COLLOIDS AND SURFACES B-BIOINTERFACES, 214 (112448). [PMID:35306344] [10.1016/j.colsurfb.2022.112448]
2. Shengyun Li, Yaowu Yuan, Chenchen Yu, Hao Gao, Jianxin Tan, Yiling Tian. (2020) Establishment and Application of a Method for the Determination of Ganoderic Acid A. JOURNAL OF FOOD QUALITY, 2020 (6621853). [PMID:] [10.1155/2020/6621853]
3. Minyu Zhu, Jinwei Ying, Chaowei Lin, Yu Wang, Kelun Huang, Yang Zhou, Honglin Teng. (2018) β-Escin inhibits the proliferation of osteosarcoma cells via blocking the PI3K/Akt pathway. RSC Advances, 8 (52): (29637-29644). [PMID:35547316] [10.1039/C8RA03578D]

1. Da Wang, Luping Sha, Chen Xu, Ying Huang, Chengcheng Tang, Tingting Xu, Xianzhe Li, Donghua Di, Jie Liu, Li Yang. (2022) Natural saponin and cholesterol assembled nanostructures as the promising delivery method for saponin. COLLOIDS AND SURFACES B-BIOINTERFACES, 214 (112448). [PMID:35306344] [10.1016/j.colsurfb.2022.112448]
2. Shengyun Li, Yaowu Yuan, Chenchen Yu, Hao Gao, Jianxin Tan, Yiling Tian. (2020) Establishment and Application of a Method for the Determination of Ganoderic Acid A. JOURNAL OF FOOD QUALITY, 2020 (6621853). [PMID:] [10.1155/2020/6621853]
3. Minyu Zhu, Jinwei Ying, Chaowei Lin, Yu Wang, Kelun Huang, Yang Zhou, Honglin Teng. (2018) β-Escin inhibits the proliferation of osteosarcoma cells via blocking the PI3K/Akt pathway. RSC Advances, 8 (52): (29637-29644). [PMID:35547316] [10.1039/C8RA03578D]

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