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Substrate Report for: Streptonigrin-derivative

Streptonigrin-derivative	Type	Pyridine
		Quinoline
	Other_Name	Methyl 5-Amino-6-(7-Amino-6-Methoxy-5,8-Dioxo-5,8-Dihydroquinolin-2-Yl)-4-(2-Hydroxy-3-Methoxyphenyl)-3-Methylpyridine-2-Carboxylate
		methyl ester of 10'-demethoxystreptonigrin
		STM
	Chemical_Nomenclature	methyl (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylate
	Formula	C25H22N4O7
	MW	490.47
	Paper	Qian_2017_Sci.Rep_7_40254
	Structure	5HDP
	Comment	Streptonigrin (STN) is a highly functionalized aminoquinone antitumor antibiotic produced by Streptomyces flocculus. Inactivation of stnA gene completely abolished production of STN but accumulated three new compounds (2, 3, and 4)with different methyl groups. The structure 5HDP of the inactive mutant S185A is with the compound 4 of the paper
	Gene_locus	9actn-l7pij2
	CID	123132880
	Family	6_AlphaBeta_hydrolase
	InChIKey	DWCOYSSFAKQYAB-PTNGSMBKSA-N
	CanonicalSMILES	CC1=C(NC(=C(C1=C2C=CC=C(C2=O)OC)N)C3=NC4=C(C=C3)C(=O)C(=C(C4=O)N)OC)C(=O)OC
	InChI	InChI=1S/C25H22N4O7/c1-10-15(11-6-5-7-14(34-2)21(11)30)16(26)20(29-18(10)25(33)36-4)13-9-8-12-19(28-13)23(32)17(27)24(35-3)22(12)31/h5-9,29H,26-27H2,1-4H3/b15-11-