Summary

IMPPAT Phytochemical identifier: IMPHY007257

Phytochemical name: Dopamine

Synonymous chemical names:
3-hydroxytyramine, dopamine

External chemical identifiers:
CID:681, ChEMBL:CHEMBL59, ChEBI:18243, ZINC:ZINC000000033882, FDASRS:VTD58H1Z2X, SureChEMBL:SCHEMBL8505, MolPort-001-641-000

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Chemical structure information

SMILES:
NCCc1ccc(c(c1)O)O

InChI:
InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

InChIKey:
VYFYYTLLBUKUHU-UHFFFAOYSA-N

DeepSMILES:
NCCcccccc6)O))O

Functional groups:
CN, 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: Benzenediols

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: 1.145

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Chemical structure download