AI3

2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM
Synonyms	AI-III-52
Identifiers	n/a
Formula	C₁₉ H₁₆ N O₄
Molecular Weight	322.335
Type	NON-POLYMER
Isomeric SMILES	COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5
InChI	InChI=1S/C19H15NO4/c1-21-15-5-11-8-20-19-13-7-18-17(23-9-24-18)4-10(13)3-14(19)12(11)6-16(15)22-2/h4-8H,3,9H2,1-2H3/p+1
InChIKey	LXDREMZQGAILJU-UHFFFAOYSA-O

Chemical Details
Formal Charge	1
Atom Count	40
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	18

Drug Info: DrugBank

DrugBank ID	DB07354
Name	2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM
Groups	experimental
Synonyms	2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
DNA topoisomerase 1	MSGDHLHNDSQIEADFRLNDSHKHKDKHKDREHRHKEHKKEKDREKSKHS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682