Summary

IMPPAT Phytochemical identifier: IMPHY003267

Phytochemical name: Intropin

Synonymous chemical names:
hydoxytyramine

External chemical identifiers:
CID:3713609, ChEBI:59905, SureChEMBL:SCHEMBL1668345

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Chemical structure information

SMILES:
[NH3+]CCc1ccc(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/p+1

InChIKey:
VYFYYTLLBUKUHU-UHFFFAOYSA-O

DeepSMILES:
[NH3+]CCcccccc6)O))O

Functional groups:
C[NH3+], 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: 0.842

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Chemical structure download