Summary

IMPPAT Phytochemical identifier: IMPHY005815

Phytochemical name: Tetrahydropiperine

Synonymous chemical names:
tetrahydropiperine

External chemical identifiers:
CID:581676, ChEMBL:CHEMBL332479, ZINC:ZINC000014658321, FDASRS:8904DO502T, SureChEMBL:SCHEMBL4898699, MolPort-044-754-074

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Chemical structure information

SMILES:
O=C(N1CCCCC1)CCCCc1ccc2c(c1)OCO2

InChI:
InChI=1S/C17H23NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h8-9,12H,1-7,10-11,13H2

InChIKey:
APZYKUZPJCQGPP-UHFFFAOYSA-N

DeepSMILES:
O=CNCCCCC6))))))CCCCcccccc6)OCO5

Functional groups:
CC(=O)N(C)C, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCCCc1ccc2c(c1)OCO2)N1CCCCC1

Scaffold Graph/Node level:
OC(CCCCC1CCC2OCOC2C1)N1CCCCC1

Scaffold Graph level:
CC(CCCCC1CCC2CCCC2C1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzodioxoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: -0.4

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Chemical structure download