Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005508

Phytochemical name: Tyramine

Synonymous chemical names:
tyramine

External chemical identifiers:
CID:CID_5610, ChEMBL:CHEMBL11608, ChEBI:CHEBI:15760, ZINC:ZINC000000002233, FDASRS:X8ZC7V0OX3, SureChEMBL:SCHEMBL4111, MolPort-000-698-914

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Chemical structure information

SMILES:
NCCc1ccc(cc1)O

InChI:
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2

InChIKey:
DZGWFCGJZKJUFP-UHFFFAOYSA-N

DeepSMILES:
NCCcccccc6))O

Functional groups:
CN, cO

Link to spectral information:
MSBNK-NAIST-KNA00324, MSBNK-NAIST-KNA00084, MSBNK-NAIST-KNA00083, MSBNK-NAIST-KNA00082, MSBNK-NAIST-KNA00081, MSBNK-MSSJ-MSJ00488, MSBNK-MSSJ-MSJ00490, MSBNK-MSSJ-MSJ00489, MSBNK-MSSJ-MSJ00487, MSBNK-MSSJ-MSJ00486, MSBNK-NAIST-KNA00325, MSBNK-MSSJ-MSJ00491, MSBNK-NAIST-KNA00326, MSBNK-MSSJ-MSJ00485, MSBNK-Osaka_Univ-OUF00480, MSBNK-RIKEN-PR010240, MSBNK-RIKEN-PR100210, MSBNK-RIKEN_ReSpect-PS036401, MSBNK-RIKEN_ReSpect-PS036402, MSBNK-RIKEN_ReSpect-PS036403, MSBNK-RIKEN_ReSpect-PS036404, MSBNK-RIKEN_ReSpect-PS036405, MSBNK-RIKEN_ReSpect-PS036406, MSBNK-Univ_Connecticut-CO000231, MSBNK-Univ_Connecticut-CO000232, MSBNK-Univ_Connecticut-CO000234, MSBNK-Univ_Connecticut-CO000235, MSBNK-NAIST-KNA00327, MSBNK-MSSJ-MSJ00484, MSBNK-Univ_Connecticut-CO000233, MSBNK-MPI_for_Chemical_Ecology-CE000019, MSBNK-Antwerp_Univ-METOX_P103501_EF88, MSBNK-Antwerp_Univ-METOX_P103501_F638, MSBNK-Antwerp_Univ-METOX_P103502_FB57, MSBNK-Athens_Univ-AU510501, MSBNK-Athens_Univ-AU510502, MSBNK-Athens_Univ-AU510503, MSBNK-Athens_Univ-AU510507, MSBNK-Athens_Univ-AU510508, MSBNK-Athens_Univ-AU510509, MSBNK-GL_Sciences_Inc-GLS00100, MSBNK-IPB_Halle-PB000473, MSBNK-IPB_Halle-PB000474, MSBNK-IPB_Halle-PB000475, MSBNK-MSSJ-MSJ00483, MSBNK-IPB_Halle-PB000477, MSBNK-IPB_Halle-PB000476, MSBNK-MPI_for_Chemical_Ecology-CE000018, MSBNK-MPI_for_Chemical_Ecology-CE000016, MSBNK-MPI_for_Chemical_Ecology-CE000015, MSBNK-Keio_Univ-KO004086, MSBNK-Keio_Univ-KO004085, MSBNK-MPI_for_Chemical_Ecology-CE000017, MSBNK-Keio_Univ-KO004083, MSBNK-Keio_Univ-KO004082, MSBNK-IPB_Halle-PB006102, MSBNK-IPB_Halle-PB006101, MSBNK-IPB_Halle-PB006085, MSBNK-Keio_Univ-KO004084

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenethylamines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: 0.758

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Chemical structure download