Summary

IMPPAT Phytochemical identifier: IMPHY001775

Phytochemical name: 5-Methyltryptamine

Synonymous chemical names:
5-methyltryptamine

External chemical identifiers:
CID:15760, ChEMBL:CHEMBL331241, ChEBI:125675, ZINC:ZINC000000066085, SureChEMBL:SCHEMBL1129793

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Chemical structure information

SMILES:
NCCc1c[nH]c2c1cc(C)cc2

InChI:
InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

InChIKey:
PYOUAIQXJALPKW-UHFFFAOYSA-N

DeepSMILES:
NCCcc[nH]cc5ccC)cc6

Functional groups:
CN, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Tryptamines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: -0.194

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Chemical structure download