Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0322)
Name
Chebulinic Acid
Synonyms
Chebulinic acid; 18942-26-2; NSC69862; CHEBI:3584; AC-31408; FT-0697896; Q-100932

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Status
Investigative
Drug Type
Small molecular drug
Structure
3D MOL
2D MOL
Formula
C41H32O27
IUPAC Name
2-[(4R,5S,7R,8R,11S,12S,13S,21S)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-7-[(3,4,5-trihydroxybenzoyl)oxymethyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
Canonical SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
InChI
InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1
InChIKey
YGVHOSGNOYKRIH-FJPMMHPYSA-N
PubChem CID
72284
TTD Drug ID
D0Z9YK
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 Health ICD-11: N.A.
 Disease Info 
Pathway Response Ferroptosis hsa04216
Cell Process Cell ferroptosis
In Vitro Model rBMMSCs (Rat bone marrow mesenchymal stem cells)
In Vivo Model
Sprague-Dawley rats (4 weeks) were obtained from the Animal Center of the Guangzhou University of Chinese Medicine. Procurement, maintenance, and treatment of the animals were performed under the supervision of the Institutional Animal Ethics Committee of the Guangzhou University of Chinese Medicine. The Gaussian 16 C.01 program was purchased from Guangzhou Molcalx Ltd. (Guangzhou, China).

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Response regulation Two hydrolyzable tannins, chebulagic acid and chebulinic acid, can act as natural ferroptosis inhibitors. Their ferroptosis inhibition is mediated by regular antioxidant pathways (ROS scavenging and iron chelation), rather than the redox-based catalytic recycling pathway exhibited by Fer-1.
References
Ref 1 Ferroptosis-Inhibitory Difference between Chebulagic Acid and Chebulinic Acid Indicates Beneficial Role of HHDP. Molecules. 2021 Jul 15;26(14):4300. doi: 10.3390/molecules26144300.