IBD Research Resource Center

BioID	bio2747
Name	MIOCAMYCIN
ChEMBL ID	CHEMBL1091024
Molecular Formula	C45H71NO17
Molecular Weight	898.05
Molecular Weight (Monoisotopic)	897.4722
Type	Small molecule
Max Phase	Unknown
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	3'',9-DIACETYLMYDECAMYCIN\|9,3''-DI-O-ACETYLMIDECAMYCIN\|ACECAMYCIN\|MIDECAMYCIN ACETATE\|MIDECAMYCIN DIACETATE\|MIOCAMYCIN\|Miocamycin\|Miokamycin\|PONSINOMYCIN
Smiles	CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(C)=O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC
Inchi	InChI=1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
Inchi Key	GQNZGCARKRHPOH-RQIKCTSVSA-N
Molecular Species	NEUTRAL
Targets	34.0
Bioactivities	88.0
Np Likeness Score	2.0
Records Key	['MOM', 'MOM', 'Midecamycin Acetate', 'Midecamycin Acetate', 'MIDECAMYCIN ACETATE', 'MOM', 'MIOCAMYCIN', 'Midecamycin Acetate', 'miocamycin']
Records Name	['miokamycin', 'miokamycin', 'Midecamycin Acetate', 'Midecamycin Acetate', 'MIDECAMYCIN ACETATE', 'Miokamycin', 'MIOCAMYCIN', 'Midecamycin Acetate', 'miocamycin']
Withdrawn Flag	False
Orphan	0