Summary

IMPPAT Phytochemical identifier: IMPHY008960

Phytochemical name: 4-Aminobenzaldehyde

Synonymous chemical names:
p-aminobenzaldehyde

External chemical identifiers:
CID:11158, ChEMBL:CHEMBL1885510, ZINC:ZINC000001677280, FDASRS:74Q1671TS1, SureChEMBL:SCHEMBL214899, MolPort-001-781-444

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Chemical structure information

SMILES:
O=Cc1ccc(cc1)N

InChI:
InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2

InChIKey:
VATYWCRQDJIRAI-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6))N

Functional groups:
cC=O, cN

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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: Benzoyl derivatives

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.224

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Chemical structure download