CX6

2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE

Created:	2005-08-18
Last modified:	2011-06-04

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1 entries where CX6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	6

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Chemical Component Summary
Name	2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₃ H₁₃ N O₄
Molecular Weight	247.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c3c(OC2N1CCC2)cc4OCCOc4c3
SMILES	CACTVS	3.341	O=C1N2CCC[CH]2Oc3cc4OCCOc4cc13
SMILES	OpenEye OEToolkits	1.5.0	c1c2c(cc3c1OCCO3)OC4CCCN4C2=O
Canonical SMILES	CACTVS	3.341	O=C1N2CCC[C@H]2Oc3cc4OCCOc4cc13
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O
InChI	InChI	1.03	InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2/t12-/m1/s1
InChIKey	InChI	1.03	RQEPVMAYUINZRE-GFCCVEGCSA-N

Drug Info: DrugBank

DrugBank ID	DB07598
Name	2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE
Groups	experimental
Synonyms	2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glutamate receptor 2	MQKIMHISVLLSPVLWGLIFGVSSNSIQIGGLFPRGADQEYSAFRVGMVQ...	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