InterPAD - DETAILS

lup-20(29)-en-3-ol, lup-20(29)-en-3beta-ol, lup-20(29)-ene-3alpha-ol, lupeol, lupeol, (3alpha)-isomer, lupeol, (3beta,18beta,19beta)-isomer

No.	Title	Href
1	Implication of Lupeol in compensating Sorafenib-induced perturbations of redox homeostasis: A preclinical study in mouse model. Life Sci. 2023 Jun 1;322:121647. doi: 10.1016/j.lfs.2023.121647.	`Click`
2	Lupeol and Paclitaxel cooperate in hindering hypoxia induced vasculogenic mimicry via suppression of HIF-1α-EphA2-Laminin-5γ2 network in human oral cancer. J Cell Commun Signal. 2023 Sep;17(3):591-608. doi: 10.1007/s12079-022-00693-z.	`Click`
3	Lupeol, an androgen receptor inhibitor, enhances the chemosensitivity of prostate cancer stem cells to antiandrogen enzalutamide-based therapy. Toxicol Appl Pharmacol. 2023 Nov 1;478:116699. doi: 10.1016/j.taap.2023.116699.	`Click`
4	Lupeol synergizes with 5-fluorouracil to combat c-MET/EphA2 mediated chemoresistance in triple negative breast cancer. iScience. 2023 Nov 4;26(12):108395. doi: 10.1016/j.isci.2023.108395.	`Click`

No.

Title

Href

Implication of Lupeol in compensating Sorafenib-induced perturbations of redox homeostasis: A preclinical study in mouse model. Life Sci. 2023 Jun 1;322:121647. doi: 10.1016/j.lfs.2023.121647.

Click

Lupeol and Paclitaxel cooperate in hindering hypoxia induced vasculogenic mimicry via suppression of HIF-1α-EphA2-Laminin-5γ2 network in human oral cancer. J Cell Commun Signal. 2023 Sep;17(3):591-608. doi: 10.1007/s12079-022-00693-z.

Click

Lupeol, an androgen receptor inhibitor, enhances the chemosensitivity of prostate cancer stem cells to antiandrogen enzalutamide-based therapy. Toxicol Appl Pharmacol. 2023 Nov 1;478:116699. doi: 10.1016/j.taap.2023.116699.

Click

Lupeol synergizes with 5-fluorouracil to combat c-MET/EphA2 mediated chemoresistance in triple negative breast cancer. iScience. 2023 Nov 4;26(12):108395. doi: 10.1016/j.isci.2023.108395.

Click

Name	Lupeol
PubChem CID	259846
Molecular Weight	426.7g/mol
Synonyms	lup-20(29)-en-3-ol, lup-20(29)-en-3beta-ol, lup-20(29)-ene-3alpha-ol, lupeol, lupeol, (3alpha)-isomer, lupeol, (3beta,18beta,19beta)-isomer
Formula	C₃₀H₅₀O
SMILES	CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
InChI	1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
InChIKey	MQYXUWHLBZFQQO-QGTGJCAVSA-N
CAS Number	545-47-1
ChEMBL ID	CHEMBL289191
ChEBI ID	CHEBI:6570
Herb ID	HBIN033751
Drug Bank ID	DB12622
KEGG ID	C08628
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	MoYao
Use Part	Balsam
Flavor	Pungent, Bitter
Meridian Tropism	Heart, Liver, Spleen
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Sapindales 　　　　-->Family: Burseraceae 　　　　　-->Genus: Commiphora 　　　　　　-->Species: Commiphora myrrha

Chineses Pinyin	MangGuo
Habitat	FuJian, TaiWan, GuangXi, GuangDong, HaiNan, YunNan
Flavor	Sour; Sweet
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Sapindales 　　　　-->Family: Anacardiaceae 　　　　　-->Genus: Mangifera 　　　　　　-->Species: Mangifera indica

Pair Name	Lupeol, Fluorouracil
Partner Name	Fluorouracil
Disease Info	[ICD-11: 2C60]	Breast cancer		Investigative
Biological Phenomena	Inhibition-->Cell metastasis
Gene Regulation	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BCL2	hsa596
	Up-regulation	Expression	CDH1	hsa999
	Down-regulation	Phosphorylation	EPHA2	hsa1969
	Down-regulation	Phosphorylation	MET	hsa4233
	Down-regulation	Expression	MMP2	hsa4313
	Down-regulation	Expression	SNAI1	hsa6615
	Down-regulation	Expression	SNAI2	hsa6591
	Down-regulation	Expression	TWIST1	hsa7291
	Down-regulation	Expression	VIM	hsa7431
In Vitro Model	MDA-MB-231	Breast adenocarcinoma	Homo sapiens (Human)	CVCL_0062
In Vitro Model	4T1	Malignant neoplasms of the mouse mammary gland	Mus musculus (Mouse)	CVCL_0125
In Vivo Model	4T1 cells (1×10⁶) were injected into the abdominal mammary fat pads of BALB/c mice.
Result	These data lay the foundation for the clinical validation of this combination therapy for TNBC patients.

Pair Name	Lupeol, Sorafenib
Partner Name	Sorafenib
Disease Info	[ICD-11: 2C12]	Hepatocellular carcinoma		Investigative
Biological Phenomena	Induction-->DNA damage
Gene Regulation	Up-regulation	Expression	FAM20C	hsa56975
	Up-regulation	Expression	ROS1	hsa6098
	Down-regulation	Expression	TP53	hsa7157
In Vitro Model	Huh-7	Adult hepatocellular carcinoma	Homo sapiens (Human)	CVCL_0336
Result	Implication of Lupeol in compensating Sorafenib-induced perturbations of redox homeostasis: A preclinical study in mouse model

Pair Name	Lupeol, Paclitaxel
Partner Name	Paclitaxel
Disease Info	[ICD-11: 2B66.0]	Oral squamous cell carcinoma		Investigative
Biological Phenomena	Induction-->Vasculogenic mimicry
Gene Regulation	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BCL2	hsa596
	Up-regulation	Expression	CDH1	hsa999
	Down-regulation	Expression	CDH5	hsa1003
	Down-regulation	Expression	EPHA2	hsa1969
	Down-regulation	Expression	HIF1A	hsa3091
	Down-regulation	Expression	MMP2	hsa4313
	Down-regulation	Expression	PROM1	hsa8842
	Down-regulation	Expression	SNAI1	hsa6615
	Down-regulation	Expression	TWIST1	hsa7291
	Down-regulation	Expression	VIM	hsa7431
In Vitro Model	UPCI-SCC-154	Tongue squamous cell carcinoma	Homo sapiens (Human)	CVCL_2230
In Vitro Model	UPCI-SCC-090	Tongue squamous cell carcinoma	Homo sapiens (Human)	CVCL_1899
Result	Our findings elucidated mechanistic underpinning of hypoxia induced Laminin-5γ2 driven VM formation highlighting that Lupeol-Paclitaxel combination may serve as novel therapeutic intervention in perturbation of VM in human OSCC.

Pair Name	Lupeol, Enzalutamide
Partner Name	Enzalutamide
Disease Info	[ICD-11: 2C82]	Prostate cancer		Investigative
Gene Regulation	Down-regulation	Expression	CFLAR	hsa8837
	Down-regulation	Expression	HNF4A	hsa3172
	Down-regulation	Expression	MYC	hsa4609
	Down-regulation	Expression	PTEN	hsa5728
In Vitro Model	PNT2	Healthy	Homo sapiens (Human)	CVCL_2164
	PC-3	Prostate carcinoma	Homo sapiens (Human)	CVCL_0035
	PTEN-CaP8	Carcinoma of the mouse prostate gland	Mus musculus (Mouse)	CVCL_0F37
In Vivo Model	1×10⁶ PTEN-CaP8 cells were introduced subcutaneously in the right flanks of mice.
Result	Lupeol enhances the pharmacological efficacy of Enzalutamide and reduces the adverse effects. Thus, Lupeol could be a promising adjuvant for improving Enzalutamide-based treatment outcomes and warrant further research.