HNT

[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL

Created:	2006-03-08
Last modified:	2021-03-13

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1 entries where HNT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	6

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Chemical Component Summary
Name	[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL
Synonyms	3(R)-HYDROXYMETHYL 7-NITRO 1,2,3,4-TETRAHYDROISOQUINOLINE
Systematic Name (OpenEye OEToolkits)	[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
Formula	C₁₀ H₁₂ N₂ O₃
Molecular Weight	208.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c1ccc2c(c1)CNC(C2)CO
SMILES	CACTVS	3.341	OC[CH]1Cc2ccc(cc2CN1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1[N+](=O)[O-])CNC(C2)CO
Canonical SMILES	CACTVS	3.341	OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO
InChI	InChI	1.03	InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1
InChIKey	InChI	1.03	RNUCRXHRBPLYTA-SECBINFHSA-N

Drug Info: DrugBank

DrugBank ID	DB07906
Name	[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL
Groups	experimental
Synonyms	[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Phenylethanolamine N-methyltransferase	MSGADRSPNAGAAPDSAPGQAAVASAYQRFEPRAYLRNNYAPPRGDLCNP...	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