GL8

GALANTHAMINE DERIVATIVE

Created:	2004-07-25
Last modified:	2021-03-13

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1 entries where GL8 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	76
Chiral Atom Count	3
Bond Count	81
Aromatic Bond Count	12

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Chemical Component Summary
Name	GALANTHAMINE DERIVATIVE
Synonyms	(4AR,6S,8AR)-11-[8-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)OCTYL]-6-HYDROXY-3-METHOXY-5,6,9,10-TETRAHYDRO-4AH-[1]BENZOFURO[3A,3,2-EF][2]BENZAZEPIN-11-IUM
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₃₂ H₃₇ N₂ O₅
Molecular Weight	529.647
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c1ccccc1C(=O)N2CCCCCCCC[N+]5=Cc6c3c(OC4C3(C=CC(O)C4)CC5)c(OC)cc6
SMILES	CACTVS	3.341	COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C]56C=C[CH](O)C[CH]5Oc1c26
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc2c3c1OC4C3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=CC(C4)O
Canonical SMILES	CACTVS	3.341	COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]56C=C[C@H](O)C[C@@H]5Oc1c26
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=C[C@@H](C4)O
InChI	InChI	1.03	InChI=1S/C32H37N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,21,23,27,35H,2-5,8-9,16-20H2,1H3/q+1/t23-,27-,32-/m0/s1
InChIKey	InChI	1.03	VLGAHTYYCHWLNI-BHRZLAGCSA-N

Drug Info: DrugBank

DrugBank ID	DB02673
Name	(4aS,6R,8aS)-11-[8-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium
Groups	experimental
Synonyms	(4aS,6R,8aS)-11-[8-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Acetylcholinesterase	MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...	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