InterPAD - DETAILS

Aescin, Aescusan, beta Aescin, beta Escin, beta-Aescin, beta-Escin, Escin, Escina, Eskuzan, Fepalitan, Feparil, Flebostasin, Opino, opino biomo, opino-biomo, opinobiomo, Reparil

No.	Title	Href
1	Toxicity Derived from Interaction between Natural Compounds and Cancer Therapeutic Drugs Metabolized by CYP3A4: Lessons Learned from Two Clinical Case Reports. Int J Mol Sci. 2023;24(21):15976. Published 2023 Nov 5. doi:10.3390/ijms242115976	`Click`
2	Escin enhanced the efficacy of sorafenib by autophagy-mediated apoptosis in lung cancer cells. Phytother Res. 2023 Oct;37(10):4819-4837. doi: 10.1002/ptr.7948.	`Click`
3	Role of Escin in breast cancer therapy: potential mechanism for inducing ferroptosis and synergistic antitumor activity with cisplatin. Apoptosis. 2023 Aug;28(7-8):1154-1167. doi: 10.1007/s10495-023-01849-x.	`Click`
4	Escin-sorafenib synergy up-regulates LC3-II and p62 to induce apoptosis in hepatocellular carcinoma cells. Environ Toxicol. 2024 Feb;39(2):840-856. doi: 10.1002/tox.23988.	`Click`

No.

Title

Href

Toxicity Derived from Interaction between Natural Compounds and Cancer Therapeutic Drugs Metabolized by CYP3A4: Lessons Learned from Two Clinical Case Reports. Int J Mol Sci. 2023;24(21):15976. Published 2023 Nov 5. doi:10.3390/ijms242115976

Click

Escin enhanced the efficacy of sorafenib by autophagy-mediated apoptosis in lung cancer cells. Phytother Res. 2023 Oct;37(10):4819-4837. doi: 10.1002/ptr.7948.

Click

Role of Escin in breast cancer therapy: potential mechanism for inducing ferroptosis and synergistic antitumor activity with cisplatin. Apoptosis. 2023 Aug;28(7-8):1154-1167. doi: 10.1007/s10495-023-01849-x.

Click

Escin-sorafenib synergy up-regulates LC3-II and p62 to induce apoptosis in hepatocellular carcinoma cells. Environ Toxicol. 2024 Feb;39(2):840-856. doi: 10.1002/tox.23988.

Click

Name	Escin
PubChem CID	16211024
Molecular Weight	1131.3g/mol
Synonyms	Aescin, Aescusan, beta Aescin, beta Escin, beta-Aescin, beta-Escin, Escin, Escina, Eskuzan, Fepalitan, Feparil, Flebostasin, Opino, opino biomo, opino-biomo, opinobiomo, Reparil
Formula	C₅₅H₈₆O₂₄
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
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
InChIKey	AXNVHPCVMSNXNP-YSYFQUGBSA-N
CAS Number	6805-41-0
ChEMBL ID	CHEMBL1875956
Herb ID	HBIN025744
Drug Bank ID	DB15774
KEGG ID	C08921
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Chineses Pinyin	SuoLuoZi
Use Part	Seed
Habitat	ZheJiang, JiangSu, HeNan
Flavor	Sweet
Meridian Tropism	Liver, Stomach
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Sapindales 　　　　-->Family: Sapindaceae 　　　　　-->Genus: Aesculus 　　　　　　-->Species: Aesculus chinensis

Chineses Pinyin	FuPenZi
Use Part	Aggregate Fruit
Habitat	AnHui, JiangSu, ZheJiang
Flavor	Sweet, Sour
Meridian Tropism	Liver, Kidney, Bladder
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Rosales 　　　　-->Family: Rosaceae 　　　　　-->Genus: Rubus 　　　　　　-->Species: Rubus chingii

Chineses Pinyin	QiYeShu
Use Part	Ripe fruit without shell
Habitat	HeBei, ShanXi, HeNan, Shaanxi
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Sapindales 　　　　-->Family: Sapindaceae 　　　　　-->Genus: Aesculus 　　　　　　-->Species: Aesculus chinensis

Pair Name	Escin, Cisplatin
Partner Name	Cisplatin
Disease Info	[ICD-11: 2C60]	Breast cancer		Investigative
Biological Phenomena	Induction-->Ferroptosis
Gene Regulation	Down-regulation	Expression	GPX4	hsa2879
Gene Regulation	Down-regulation	Expression	G6PD	hsa2539
In Vitro Model	MCF-7	Invasive breast carcinoma of no special type	Homo sapiens (Human)	CVCL_0031
In Vitro Model	MDA-MB-231	Breast adenocarcinoma	Homo sapiens (Human)	CVCL_0062
In Vivo Model	MDA-MB-231 cells (2.5×10⁶ cells per mouse) stably expressing sh-NC and sh-G6PD were established.When the tumor grew to approximately 60 mm3, 2 mg/kg Escin was intraperitoneally injected with normal saline as the control.
Result	Role of Escin in breast cancer therapy: potential mechanism for inducing ferroptosis and synergistic antitumor activity with cisplatin

Pair Name	Escin, Sorafenib
Partner Name	Sorafenib
Disease Info	[ICD-11: 2C12]	Hepatocellular carcinoma		Investigative
Biological Phenomena	Induction-->Blockade of cell cycle in G0/G1 phase
Gene Regulation	Up-regulation	Expression	BECN1	hsa8678
	Up-regulation	Expression	SQSTM1	hsa8878
	Up-regulation	Expression	MAP1LC3B	hsa81631
In Vitro Model	Hep-G2	Hepatoblastoma	Homo sapiens (Human)	CVCL_0027
In Vivo Model	For the following 4 weeks, the animalsreceived daily treatments of water/saline as vehicle, sorafenib (10 mg/kgbw, oral) and escin (10 mg/kg bw, i.p.) alone and also in combination.
Result	Escin and sorafenib combination potentially up-regulates p62 to block autophagy to induce late apoptosis in liver cancer cells.

Pair Name	Escin, Ribociclib
Partner Name	Ribociclib
Result	Neutropenia