Summary

IMPPAT Phytochemical identifier: IMPHY005506

Phytochemical name: 2-Aminooxyphenol

Synonymous chemical names:
catecholamine

External chemical identifiers:
CID:21226150, SureChEMBL:SCHEMBL5557

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Chemical structure information

SMILES:
NOc1ccccc1O

InChI:
InChI=1S/C6H7NO2/c7-9-6-4-2-1-3-5(6)8/h1-4,8H,7H2

InChIKey:
UQRYMDNYLRCADY-UHFFFAOYSA-N

DeepSMILES:
NOcccccc6O

Functional groups:
cO, cON

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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: Phenoxy compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.357

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Chemical structure download