Ferroptosis-centered Drug Response Information
General Information of the Drug (ID: ferrodrug0096)
| Name |
Lupeol
|
||||
|---|---|---|---|---|---|
| Synonyms |
Lupeol; 545-47-1; Fagarasterol; Clerodol; Monogynol B; farganasterol; Fagarsterol; Lupenol; Triterpene lupeol; beta-Viscol; Lup-20(29)-en-3b-ol; .beta.-Viscol; UNII-O268W13H3O; Lup-20(29)-en-3beta-ol; CHEBI:6570; Lup-20(29)-en-3-ol, (3b)-; (+)-Lupeol; Lup-20(29)-en-3-ol, (3-beta)-; HSDB 7687; O268W13H3O; EINECS 208-889-9; NSC 90487; NSC-90487; (3-beta)-Lup-20(29)-en-3-ol; LUPEOL, (+)-; Lup-20(29)-en-3-beta-ol; NSC90487; (3beta)-lup-20(29)-en-3-ol; (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol; Lup-20(29)-en-3-ol, (3.beta.)-; Lup-20(29)-en-3-ol; Lup-20(29)-en-3.beta.-ol; 20(29)-Lupen-3beta-ol; MFCD00017351; Lup-20(29)-en-3-ol, (3beta)-; LUPEOL [HSDB]; LUPEOL [INCI]; LUPEOL [MI]; Lupeol, >=94%; Lupeol, analytical standard; SCHEMBL148518; CHEMBL289191; 3beta-lup-20(29)-en-3-ol; DTXSID901025006; HY-N0790; BDBM50377927; s3614; 3beta-HYDROXYLUP-20(29)-ENE; AKOS016008524; CCG-268968; CS-7563; DB12622; DS-3391; LMPR0106130001; NCI60_042005; 3.BETA.-HYDROXYLUP-20(29)-ENE; LUP-20(29)-EN-3-.BETA.-OL; (3b,13; I)-Lup-20(29)-en-3-ol; L0321; C08628; (3-.BETA.)-LUP-20(29)-EN-3-OL; Q409366; LUP-20(29)-EN-3-OL, (3-.BETA.)-; Q-100615; (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Click to Show/Hide
|
||||
| Status |
Investigative
|
||||
| Drug Type |
Small molecular drug
|
||||
| Structure |
 |
||||
| Formula |
C30H50O
|
||||
| IUPAC Name |
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
||||
| Canonical SMILES |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
||||
| InChI |
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
|
||||
| PubChem CID | |||||
| TTD Drug ID | |||||
Full List of Ferroptosis Target Related to This Drug
Unspecific Target
| In total 1 item(s) under this Target | |||||
| Experiment 1 Reporting the Ferroptosis-centered Drug Act on This Target | [1] | ||||
| Responsed Disease | Nasopharyngeal cancer | ICD-11: 2B6B | |||
| Responsed Regulator | Transcription factor p65 (RELA) | Suppressor | |||
| Pathway Response | Fatty acid metabolism | hsa01212 | |||
| Ferroptosis | hsa04216 | ||||
| NF-kappa B signaling pathway | hsa04064 | ||||
| Apoptosis | hsa04210 | ||||
| Cell Process | Cell ferroptosis | ||||
| Cell apoptosis | |||||
| Cell proliferation | |||||
| In Vivo Model |
BALB/c nude mice (6-week-old) were purchased from Junke biology Co., Ltd (Nanjing, China). All mice were individually housed and had free access to food and water. Then, 58?F and CNE1 cells (5x106 cells in 200 l medium) were inoculated into right flank of mice. Mice were divided into 2 groups: sham group and 10 mg/kg lupeol group (5 mice per group). Specifically, mice of the 10 mg/kg lupeol group were intraperitoneally administrated with lupeol (10 mg/kg, every 3 days) referring to previous studies [Citation23,Citation24]. Mice in the sham group received an equivalent volume of PBS. At day 40 after lupeol treatment, mice were euthanized by cervical dislocation after anesthetizing with 3% isoflurane. The tumor volume and weight were recorded, respectively. Animal experiments were conducted following the approval of the Ethics Committee of Shenzhen Peoples Hospital (No. SYXK(YUE)2017-0174).
Click to Show/Hide
|
||||
| Response regulation | Lupeol significantly elevated AMPK phosphorylation, and reduced the levels of p-IB and nuclear NF-kB p65 (RELA). Lupeol exerted the anti-cancer impacts by inducing oxidative stress, ferroptosis and apoptosis, and suppressing inflammation via the AMPK/NF-kB pathway in nasopharyngeal carcinoma. | ||||