Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0211)
Name
Dioscin
Synonyms
Dioscin; 19057-60-4; Collettiside III; Dioscine; CCRIS 4123; CHEBI:74023; UNII-3B95U4OLWV; 3B95U4OLWV; PARIS III; (+)-DIOSCIN; (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; 3-O-(Rhaalpha1-4(Rhaalpha1-2)Glcbeta)-(25R)-spirost-5-en-3beta-ol; Diosgenin bis-alpha-L-rhamnopyranosyl)-(1-2 and 1-4)-beta-D-glucopyranoside; 3-O-[alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc]-diosgenin; 3-O-[alpha-L-Rhap-(1->4)-[alpha-L-Rhap-(1->2)]-beta-D-Glcp]-diosgenin; (25R)-spirost-5-en-3beta-yl alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside; beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-; Collettiside III;CCRIS 4123; DTXSID50903916; 3-O-(alpha-L-Rha-(1->4)-(alpha-L-Rha-(1->2))-beta-D-Glc)-diosgenin; 3-O-(alpha-L-Rha-(1->4)-(alpha-L-Rha-(1->2))-beta-D-Glc)diosgenin; 3-O-(alpha-L-Rhap-(1->4)-(alpha-L-Rhap-(1->2))-beta-D-Glcp)-diosgenin; 3-O-[alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc]diosgenin; Collettinside III; (25R)-spirost-5-en-3beta-yl alpha-L-rhamnopyranosyl-(1->2)-(alpha-L-mannopyranosyl-(1->4))-beta-D-glucopyranoside; DIOSCIN [MI]; DIOSCIN [WHO-DD]; Dioscin (Collettiside III); GTPL840; SCHEMBL526528; CHEMBL507001; Dioscin, >=95% (HPLC); DTXCID101331877; GLXC-13125; HY-N0124; BDBM50088500; MFCD02094174; s2379; AKOS022168201; CCG-270544; C08897; A880409; Q-100228; Q63395447; (25r)-3beta-[2-O,4-O-bis(alpha-l-rhamnopyranosyl)-beta-d-glucopyranosyloxy]spirosta-5-ene; (3.BETA.,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE; (3beta,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->4))-beta-D-GLUCOPYRANOSIDE; .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-SPIROST-5-EN-3-YL O-6- DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L- MANNOPYRANOSYL-(1->4))-; [(25R)-Spirost-5-en-3beta-yl]2-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; 3-O-beta-D-alpha-L-Rhamnopyranosyl(1->4)-[alpha-L-rhamnopyranosyl(1->2)]-beta-D-glucopyranoside-diosgenin; beta-D-GLUCOPYRANOSIDE, (3beta,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->4))-; DIOSGENIN 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->2)-(.ALPHA.-L-RHAMNOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE; DIOSGENIN 3-O-alpha-L-RHAMNOPYRANOSYL-(1->2)-(alpha-L-RHAMNOPYRANOSYL-(1->4))-beta-D-GLUCOPYRANOSIDE

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Status
Preclinical
Drug Type
Small molecular drug
Structure
3D MOL
2D MOL
Formula
C45H72O16
IUPAC Name
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Canonical SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
InChI
InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChIKey
VNONINPVFQTJOC-ZGXDEBHDSA-N
PubChem CID
119245
TTD Drug ID
D0F2AD
Full List of Ferroptosis Target Related to This Drug
Nuclear factor erythroid 2-related factor 2 (NFE2L2)
 Target Info 
In total 1 item(s) under this Target
Experiment 1 Reporting the Ferroptosis-centered Drug Act on This Target [1]
Target for Ferroptosis Marker/Suppressor
Responsed Disease Acute kidney failure ICD-11: GB60
 Disease Info 
Pathway Response Ferroptosis hsa04216
Fatty acid metabolism hsa01212
Cell Process Cell ferroptosis
Cell apoptosis
In Vitro Model HK-2 cells Normal Homo sapiens CVCL_0302
In Vivo Model
Six-week-old male Wistar rats (170-200 g) were obtained from Changsheng Biotechnology Co., Ltd. (Changchun, China), and all of them were fed under SPF-conditions. The rats were acclimatized to natural light/dark cycles at a controlled temperature of 22 + 2 with free access to food and water. The experiment was comprised of four groups: the C group (0.5% carboxymethyl cellulose sodium [CMC-Na], n = 6); the Dio group (dioscin-treated rats, n = 6); the CP group (cisplatin-treated mice, n = 6); and the Dio + CP group (dioscin plus cisplatin-treated rats, n = 6). Rats were gavaged with dioscin (60 mg/kg) for ten days, and cisplatin (10 mg/kg) was intraperitoneally injected once on the seventh day.

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Response regulation Dioscin exerts a reno-protective effect by decreasing renal oxidative injury, apoptosis and ferroptosis through the Nrf2/HO-1 signaling pathway, providing a new insight into acute kidney injury prevention.
Heme oxygenase 1 (HMOX1)
 Target Info 
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 Acute kidney failure ICD-11: GB60
 Disease Info 
Pathway Response Ferroptosis hsa04216
Fatty acid metabolism hsa01212
Cell Process Cell ferroptosis
Cell apoptosis
In Vitro Model HK-2 cells Normal Homo sapiens CVCL_0302
In Vivo Model
Six-week-old male Wistar rats (170-200 g) were obtained from Changsheng Biotechnology Co., Ltd. (Changchun, China), and all of them were fed under SPF-conditions. The rats were acclimatized to natural light/dark cycles at a controlled temperature of 22 + 2 with free access to food and water. The experiment was comprised of four groups: the C group (0.5% carboxymethyl cellulose sodium [CMC-Na], n = 6); the Dio group (dioscin-treated rats, n = 6); the CP group (cisplatin-treated mice, n = 6); and the Dio + CP group (dioscin plus cisplatin-treated rats, n = 6). Rats were gavaged with dioscin (60 mg/kg) for ten days, and cisplatin (10 mg/kg) was intraperitoneally injected once on the seventh day.

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Response regulation Dioscin exerts a reno-protective effect by decreasing renal oxidative injury, apoptosis and ferroptosis through the Nrf2/HO-1 signaling pathway, providing a new insight into acute kidney injury prevention.
References
Ref 1 Dioscin Protects against Cisplatin-Induced Acute Kidney Injury by Reducing Ferroptosis and Apoptosis through Activating Nrf2/HO-1 Signaling. Antioxidants (Basel). 2022 Dec 11;11(12):2443. doi: 10.3390/antiox11122443.