Summary

IMPPAT Phytochemical identifier: IMPHY006546

Phytochemical name: Synephrine

Synonymous chemical names:
synephrine

External chemical identifiers:
CID:7172, ChEMBL:CHEMBL33720, ChEBI:29081, FDASRS:PEG5DP7434, SureChEMBL:SCHEMBL146500, MolPort-023-221-543

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Chemical structure information

SMILES:
CNCC(c1ccc(cc1)O)O

InChI:
InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3

InChIKey:
YRCWQPVGYLYSOX-UHFFFAOYSA-N

DeepSMILES:
CNCCcccccc6))O)))))O

Functional groups:
CNC, CO, 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: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: 0.837

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Chemical structure download