Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001734

Phytochemical name: Serotonin

Synonymous chemical names:
tryptamine,5-hydroxy, serotonin, 5-hydroxy-tryptamine, tryptamine, 5-hydroxy, serotonine, 5-hydroxytryptamine

External chemical identifiers:
CID:CID_5202, ChEMBL:CHEMBL39, ChEBI:CHEBI:28790, ZINC:ZINC000000057058, FDASRS:333DO1RDJY, SureChEMBL:SCHEMBL1495, MolPort-001-779-633

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Chemical structure information

SMILES:
NCCc1c[nH]c2c1cc(O)cc2

InChI:
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

InChIKey:
QZAYGJVTTNCVMB-UHFFFAOYSA-N

DeepSMILES:
NCCcc[nH]cc5ccO)cc6

Functional groups:
CN, cO, c[nH]c

Link to spectral information:
MSBNK-Osaka_Univ-OUF00457, MSBNK-RIKEN-PR100014, MSBNK-RIKEN-PR100015, MSBNK-RIKEN_ReSpect-PS003401, MSBNK-RIKEN_ReSpect-PS003403, MSBNK-Washington_State_Univ-BML82170, MSBNK-Washington_State_Univ-BML82172, MSBNK-Osaka_Univ-OUF00456, MSBNK-RIKEN_ReSpect-PS003402, MSBNK-Keio_Univ-KO004021, MSBNK-IPB_Halle-PB001417, MSBNK-Keio_Univ-KO004019, MSBNK-Keio_Univ-KO004018, MSBNK-Keio_Univ-KO004017, MSBNK-IPB_Halle-PB001420, MSBNK-IPB_Halle-PB001419, MSBNK-IPB_Halle-PB001418, MSBNK-Antwerp_Univ-METOX_P104102_F638, MSBNK-Antwerp_Univ-METOX_P104101_FB57, MSBNK-Antwerp_Univ-METOX_P104101_EF88, MSBNK-Keio_Univ-KO004020

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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: 0.636

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Chemical structure download