Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0284)
Name
Heteronemin
Synonyms
Heteronemin; 62008-04-2; CHEMBL514498; SCHEMBL2321982; BDBM50398322; CCG-257553; [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate

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Structure
Formula
C29H44O6
IUPAC Name
[(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate
Canonical SMILES
CC(=O)OC1CC2C3(CCC4C(CCCC4(C3CC(C2(C5C1=COC5OC(=O)C)C)O)C)(C)C)C
InChI
InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1
InChIKey
VYIQDOVNWPEWRJ-JVQIYTTCSA-N
PubChem CID
21589810
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 Hepatocellular carcinoma ICD-11: 2C12
 Disease Info 
Responsed Regulator Mitogen-activated protein kinase 14 (MAPK14) Driver
 Regulator Info 
Pathway Response Fatty acid metabolism hsa01212
Apoptosis hsa04210
Ferroptosis hsa04216
Cell Process Cell ferroptosis
Cell proliferation
Cell apoptosis
In Vitro Model HA22T/VGH cells Hepatocellular carcinoma Homo sapiens CVCL_7046
HA59T/VGH cells Hepatocellular carcinoma Homo sapiens CVCL_Y018
Response regulation Heteronemin is an effective agent against hepatocellular carcinoma that induces HCC cell apoptosis and ferroptosis by inducing intracellular ROS formation and the p38 (MAPK14)/JNK MAPK signaling pathway, revealing the potent MAPK-mediated crosstalk mechanism between apoptosis and ferroptosis.
References
Ref 1 A Marine Terpenoid, Heteronemin, Induces Both the Apoptosis and Ferroptosis of Hepatocellular Carcinoma Cells and Involves the ROS and MAPK Pathways. Oxid Med Cell Longev. 2021 Jan 4;2021:7689045. doi: 10.1155/2021/7689045. eCollection 2021.