Summary

IMPPAT Phytochemical identifier: IMPHY000634

Phytochemical name: N-Benzoyl-L-phenylalaninol

Synonymous chemical names:
n-benzoyl-1-phenylalaninol, n-benzoyl-l-phenylalaninol

External chemical identifiers:
CID:100005, ChEMBL:CHEMBL1731675, SureChEMBL:SCHEMBL3682310, MolPort-001-739-366

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Chemical structure information

SMILES:
OCC(NC(=O)c1ccccc1)Cc1ccccc1

InChI:
InChI=1S/C16H17NO2/c18-12-15(11-13-7-3-1-4-8-13)17-16(19)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,17,19)

InChIKey:
RFYNAVYPYXLVOM-UHFFFAOYSA-N

DeepSMILES:
OCCNC=O)cccccc6))))))))Ccccccc6

Functional groups:
CO, cC(=O)NC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NCCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(NCCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCCC1CCCCC1)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: Peptide alkaloids

NP Classifier Class: Simple amide alkaloids

NP-Likeness score: -0.279

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Chemical structure download