Summary

IMPPAT Phytochemical identifier: IMPHY009072

Phytochemical name: 3-(4-Hydroxyphenyl)Propanamide

Synonymous chemical names:
phloretamide

External chemical identifiers:
CID:16222514, ZINC:ZINC000002556352, SureChEMBL:SCHEMBL154384, MolPort-001-794-309

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Chemical structure information

SMILES:
NC(=O)CCc1ccc(cc1)O

InChI:
InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12)

InChIKey:
OEHZEBOCZWCVMK-UHFFFAOYSA-N

DeepSMILES:
NC=O)CCcccccc6))O

Functional groups:
CC(N)=O, cO

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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: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Peptide alkaloids

NP Classifier Class: Simple amide alkaloids

NP-Likeness score: 0.161

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Chemical structure download