Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000342

Phytochemical name: Tryptamine

Synonymous chemical names:
tryptamine

External chemical identifiers:
CID:CID_1150, ChEMBL:CHEMBL6640, ChEBI:CHEBI:16765, ZINC:ZINC000000120144, FDASRS:422ZU9N5TV, SureChEMBL:SCHEMBL26725, MolPort-001-002-280

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Chemical structure information

SMILES:
NCCc1c[nH]c2c1cccc2

InChI:
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2

InChIKey:
APJYDQYYACXCRM-UHFFFAOYSA-N

DeepSMILES:
NCCcc[nH]cc5cccc6

Functional groups:
CN, c[nH]c

Link to spectral information:
MSBNK-RIKEN-PR010102, MSBNK-RIKEN_ReSpect-PS006904, MSBNK-RIKEN_ReSpect-PS006903, MSBNK-RIKEN_ReSpect-PS006902, MSBNK-RIKEN_ReSpect-PS006901, MSBNK-RIKEN-PR010103, MSBNK-Osaka_Univ-OUF00478, MSBNK-Keio_Univ-KO004144, MSBNK-Keio_Univ-KO004145, MSBNK-Keio_Univ-KO004146, MSBNK-Keio_Univ-KO004143, MSBNK-Keio_Univ-KO004142, MSBNK-GL_Sciences_Inc-GLS00090, MSBNK-Antwerp_Univ-METOX_P103302_F638

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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: 0.049

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Chemical structure download