Summary

IMPPAT Phytochemical identifier: IMPHY001222

Phytochemical name: Indoline

Synonymous chemical names:
indoline

External chemical identifiers:
CID:10328, ChEMBL:CHEMBL388803, ChEBI:43295, ZINC:ZINC000000967454, FDASRS:6DPT9AB2NK, SureChEMBL:SCHEMBL5629, MolPort-001-769-771

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Chemical structure information

SMILES:
c1ccc2c(c1)NCC2

InChI:
InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2

InChIKey:
LPAGFVYQRIESJQ-UHFFFAOYSA-N

DeepSMILES:
cccccc6)NCC5

Functional groups:
cNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCN2

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: 0.204

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Chemical structure download