TTL

TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL

Created: 2005-08-12
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count2
Bond Count26
Aromatic Bond Count6
2D diagram of TTL
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Chemical Component Summary

NameTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
SynonymsTRANS-(1S,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE, TRANS-(1S,2S)-2-AMINO-1-TETRALOL
Systematic Name (OpenEye OEToolkits)(1S,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
FormulaC10 H13 N O
Molecular Weight163.216
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OC2c1ccccc1CCC2N
SMILESCACTVS3.341N[CH]1CCc2ccccc2[CH]1O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)CCC(C2O)N
Canonical SMILESCACTVS3.341 N[C@H]1CCc2ccccc2[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)CC[C@@H]([C@H]2O)N
InChIInChI1.03 InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10-/m0/s1
InChIKeyInChI1.03 IIMSEFZOOYSTDO-UWVGGRQHSA-N

Drug Info: DrugBank

DrugBank IDDB08654 
NameTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
Groups experimental
SynonymsTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL

Drug Targets

NameTarget SequencePharmacological ActionActions
Phenylethanolamine N-methyltransferaseMSGADRSPNAGAAPDSAPGQAAVASAYQRFEPRAYLRNNYAPPRGDLCNP...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

Related Resource References

Resource NameReference
PubChem 6420130
ChEMBL CHEMBL46439
CCDC/CSD DASPIZ