Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0313)
Name
Carabrone
Synonyms
Carabrone; 1748-81-8; Carabron; (3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one; CCRIS 1880; grandicin; 2H-Cyclopropa(f)benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-; MEGxp0_001642; CHEMBL3315226; ACon0_000363; DTXSID90938585; HY-N5020; AKOS015998610; NCGC00385841-01; AC-34820; MS-23515; CS-0032087; A881657; 5a-Methyl-3-methylidene-5-(3-oxobutyl)octahydro-2H-cyclopropa[f][1]benzofuran-2-one; (1R,3S,4S,5R,7R)-5-methyl-10-methylidene-4-(3-oxobutyl)-8-oxatricyclo[5.3.0.0?,?]decan-9-one; (3aR,4aS,5S,5aR,6aR)-5a-Methyl-3-methylene-5-(3-oxobutyl)octahydro-2H-cyclopropa[f]benzofuran-2-one; NCGC00385841-01_C15H20O3_2H-Cyclopropa[f]benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-, (3aR,4aS,5S,5aR,6aR)-

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Structure
Formula
C15H20O3
IUPAC Name
(3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
Canonical SMILES
CC(=O)CCC1C2C1(CC3C(C2)C(=C)C(=O)O3)C
InChI
InChI=1S/C15H20O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h10-13H,2,4-7H2,1,3H3/t10-,11+,12+,13-,15-/m1/s1
InChIKey
AGIQIKMGJVLKMA-NLRWUALESA-N
PubChem CID
164879
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 Pancreatic cancer ICD-11: 2C10
 Disease Info 
Pathway Response Ferroptosis hsa04216
Cell Process Cell ferroptosis
Cell proliferation
In Vitro Model SW1990 cells Pancreatic adenocarcinoma Homo sapiens CVCL_1723
CFPAC-1 cells Pancreatic ductal adenocarcinoma Homo sapiens CVCL_1119
Capan-2 cells Pancreatic ductal adenocarcinoma Homo sapiens CVCL_0026
PANC-1 cells Pancreatic ductal adenocarcinoma Homo sapiens CVCL_0480
Response regulation Carabrone showed cytotoxicity against SW1990 pancreatic cancer cells through proliferation and migration inhibition mediating via the Hippo signaling pathway and finally induced the cell death through ferroptosis.
References
Ref 1 A Carabrane-Type Sesquiterpenolide Carabrone from Carpesium cernuum Inhibits SW1990 Pancreatic Cancer Cells by Inducing Ferroptosis. Molecules. 2022 Sep 9;27(18):5841. doi: 10.3390/molecules27185841.