Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0304)
Name
Geraniin
Synonyms
Geraniin; 60976-49-0; Geraniiin; CHEBI:5328; CHEMBL506069; C10230; JQQBXPCJFAKSPG-SVYIMCMUSA-N; BDBM50242278; AKOS015965424; AC-8425; Q-100702; Q5549854; [undecahydroxy(pentaoxo)[?]yl] 3,4,5-trihydroxybenzoate; N-(4-CARBETHOXYPHENYL)-N-4-(6-BENZOTHIAZOLE)AMINE; .beta.-D-Glucopyranose, cyclic 2.fwdarw.7:4.fwdarw.5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate)cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer

    Click to Show/Hide
Status
Investigative
Drug Type
Small molecular drug
Structure
3D MOL
2D MOL
Formula
C41H28O27
IUPAC Name
[(1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-28-yl] 3,4,5-trihydroxybenzoate
Canonical SMILES
C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
InChI
InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1
InChIKey
JQQBXPCJFAKSPG-SVYIMCMUSA-N
PubChem CID
3001497
TTD Drug ID
D0C6QS
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 r-bmMSCs (Rat bone marrowderived mesenchymal stem cells)
Response regulation Geraniin exhibits ferroptosis-inhibitory potential towards erastin-treated bmMSCs; such potential may mainly stem from its strong lipid peroxidation (LPO)-inhibition, Fe2+-chelating, and antioxidant actions. Geraniin gives neither dimer nor radical adduct, owing to the bulky HHDP (or DHHDP) group; thus, it is considered as a safe and effective ferroptosis-inhibitor.
References
Ref 1 Ferroptosis-Inhibitory Effect and Possible Mechanisms of Ellagitannin Geraniin. ChemistryOpen. 2021 Aug;10(8):737-739. doi: 10.1002/open.202000255. Epub 2021 Feb 15.