Ferroptosis-centered Drug Response Information
General Information of the Drug (ID: ferrodrug0372)
| Name |
Anhydrosafflor yellow B
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| Structure |
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3D MOL
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| Formula |
C48H52O26
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| IUPAC Name |
4-[(2S)-4,7-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
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| Canonical SMILES |
C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)(C4C(C(C(C(O4)CO)O)O)O)O)OC(C3C5=C(C(=C(C=CC6=CC=C(C=C6)O)O)C(=O)C(C5=O)(C7C(C(C(C(O7)CO)O)O)O)O)O)C(C(C(CO)O)O)O)O)O
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| InChI |
InChI=1S/C48H52O26/c49-13-22(56)30(57)37(64)40-27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(67)47(70,43(28)69)45-38(65)35(62)31(58)23(14-50)72-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(68)48(71,44(29)74-40)46-39(66)36(63)32(59)24(15-51)73-46/h1-12,22-24,27,30-32,35-40,45-46,49-54,56-66,70-71H,13-15H2/b11-5+,12-6+,25-20?/t22-,23-,24-,27?,30-,31-,32-,35+,36+,37+,38-,39-,40+,45-,46-,47?,48?/m1/s1
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| InChIKey |
NOXZTJVQKYBYAV-SOPRAFLBSA-N
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| PubChem CID | |||||
Full List of Ferroptosis Target Related to This Drug
Phospholipid hydroperoxide glutathione peroxidase (GPX4)
| In total 1 item(s) under this Target | ||||
| Experiment 1 Reporting the Ferroptosis-centered Drug Act on This Target | [1] | |||
| Target for Ferroptosis | Suppressor | |||
| Responsed Disease | Ischemia/reperfusion injury | ICD-11: DB98 | ||
| Pathway Response | Glutathione metabolism | hsa00480 | ||
| Fatty acid metabolism | hsa01212 | |||
| Cell Process | Cell ferroptosis | |||
| Cell apoptosis | ||||
| In Vitro Model | PC12 cells | Adrenal gland pheochromocytoma | Rattus norvegicus | CVCL_0481 |
| Response regulation | Hydroxysafflor yellow A (HSYA) and anhydrosafflor yellow B (AHSYB) limited ferroptosis and parthanatos to alleviate oxidative stress in PC12 cells. Oxygen glucose deprivation and reperfusion injury reduced GSH/GSSG level in PC12 cells, but the reduction of GSH/GSSG ratio was regained by HSYA or AHSYB. HSYA and AHSYB activated GPX4 and system Xc- to alleviate ferroptosis. | |||