InterPAD - DETAILS

calphostin C, 121263-19-2, UCN-1028c, CHEMBL261214, Carbonic acid,(1R)-2-[12-[(2R)-2-(benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethyl4-hydroxyphenyl ester, stereoisomer, Calphostin C from Cladosporium cladosporioides, 924657-57-8, C44H38O14, 1-[3,10-dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylen-1-yl]propan-2-yl benzoate, CBiol_001843, KBioGR_000240, KBioSS_000240, SCHEMBL3469324, SCHEMBL13827621, KBio2_000240, KBio2_002808, KBio2_005376, KBio3_000479, KBio3_000480, LSUTUUOITDQYNO-UHFFFAOYSA-N, Bio1_000129, Bio1_000618, Bio1_001107, Bio2_000240, Bio2_000720, HMS1361L22, WEA26319, BDBM50500850, HB0160, MFCD00133155, AKOS024456712, IDI1_033990, (1R)-2-[12-[(2R)-2-(Benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethylcarbonic acid 4-hydroxyphenyl ester, 1-[3,10-dihydroxy-12-[2-(4-hydroxyphenoxy)carbonyloxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl benzoate, HY-105416, CS-0025958, F82138, M04057, J-004473, Calphostin C, Cladosporium cladosporioides - CAS 121263-19-2, Calphostin C from Cladosporium cladosporioides, >=90% (HPLC), powder, [2-[4,9-dihydroxy-12-[2-(4-hydroxyphenoxy)carbonyloxypropyl]-2,6,7,11-tetramethoxy-3,10-dioxo-perylen-1-yl]-1-methyl-ethyl] benzoate, 1-(4,9-Dihydroxy-12-(2-(((4-hydroxyphenoxy)carbonyl)oxy)propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1-yl)propan-2-yl benzoate, 1-(4,9-Dihydroxy-12-(2-(((4-hydroxyphenoxy)carbonyl)oxy)propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1-yl)propan-2-ylbenzoate, 1-(4,9-dihydroxy-12-(2-((4-hydroxyphenoxy)carbonyloxy)propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1-yl)propan-2-yl benzoate, Benzoic acid 2-{4,9-dihydroxy-12-[2-(4-hydroxy-phenoxycarbonyloxy)-propyl]-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydro-perylen-1-yl}-1-methyl-ethyl ester, Carbonic acid,(1R)-2-[12-[(2R)-2-(benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethyl4-hydroxyphenyl ester,stereoisomer

Name	Calphostin c
PubChem CID	2533
Molecular Weight	790.8g/mol
Synonyms	calphostin C, 121263-19-2, UCN-1028c, CHEMBL261214, Carbonic acid,(1R)-2-[12-[(2R)-2-(benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethyl4-hydroxyphenyl ester, stereoisomer, Calphostin C from Cladosporium cladosporioides, 924657-57-8, C44H38O14, 1-[3,10-dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylen-1-yl]propan-2-yl benzoate, CBiol_001843, KBioGR_000240, KBioSS_000240, SCHEMBL3469324, SCHEMBL13827621, KBio2_000240, KBio2_002808, KBio2_005376, KBio3_000479, KBio3_000480, LSUTUUOITDQYNO-UHFFFAOYSA-N, Bio1_000129, Bio1_000618, Bio1_001107, Bio2_000240, Bio2_000720, HMS1361L22, WEA26319, BDBM50500850, HB0160, MFCD00133155, AKOS024456712, IDI1_033990, (1R)-2-[12-[(2R)-2-(Benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethylcarbonic acid 4-hydroxyphenyl ester, 1-[3,10-dihydroxy-12-[2-(4-hydroxyphenoxy)carbonyloxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl benzoate, HY-105416, CS-0025958, F82138, M04057, J-004473, Calphostin C, Cladosporium cladosporioides - CAS 121263-19-2, Calphostin C from Cladosporium cladosporioides, >=90% (HPLC), powder, [2-[4,9-dihydroxy-12-[2-(4-hydroxyphenoxy)carbonyloxypropyl]-2,6,7,11-tetramethoxy-3,10-dioxo-perylen-1-yl]-1-methyl-ethyl] benzoate, 1-(4,9-Dihydroxy-12-(2-(((4-hydroxyphenoxy)carbonyl)oxy)propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1-yl)propan-2-yl benzoate, 1-(4,9-Dihydroxy-12-(2-(((4-hydroxyphenoxy)carbonyl)oxy)propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1-yl)propan-2-ylbenzoate, 1-(4,9-dihydroxy-12-(2-((4-hydroxyphenoxy)carbonyloxy)propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1-yl)propan-2-yl benzoate, Benzoic acid 2-{4,9-dihydroxy-12-[2-(4-hydroxy-phenoxycarbonyloxy)-propyl]-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydro-perylen-1-yl}-1-methyl-ethyl ester, Carbonic acid,(1R)-2-[12-[(2R)-2-(benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethyl4-hydroxyphenyl ester,stereoisomer
Drug Type	Small molecule
Formula	C₄₄H₃₈O₁₄
SMILES	CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)OC(=O)OC6=CC=C(C=C6)O)OC(=O)C7=CC=CC=C7
InChI	1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3
InChIKey	LSUTUUOITDQYNO-UHFFFAOYSA-N
CAS Number	121263-19-2
ChEMBL ID	CHEMBL261214
TTD ID	D0S6XD
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Pair Name	Rhein, Calphostin c
Partner Name	Rhein
Disease Info	[ICD-11: 2B90.Z]	Colon cancer		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	XIAP	hsa331
In Vitro Model	HCT 116	Colon carcinoma	Homo sapiens (Human)	CVCL_0291
In Vitro Model	RKO	Colon carcinoma	Homo sapiens (Human)	CVCL_0504
Result	Data suggest that rottlerin affects mitochondrial function independent of PKC delta, thereby sensitizing cells to TRAIL, and that mitochondria constitute an important target in overcoming inherent resistance to TRAIL in colon carcinomas.