Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012191

Phytochemical name: Salicifoline

Synonymous chemical names:
salicifoline, Salicifoline

External chemical identifiers:
CID:CID_160877, ChEBI:CHEBI:80899, ZINC:ZINC000006068126

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Chemical structure information

SMILES:
COc1ccc(cc1O)CC[N+](C)(C)C

InChI:
InChI=1S/C12H19NO2/c1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10/h5-6,9H,7-8H2,1-4H3/p+1

InChIKey:
REIMFKRWHOKOHQ-UHFFFAOYSA-O

DeepSMILES:
COcccccc6O)))CC[N+]C)C)C

Functional groups:
cO, cOC, C[N+](C)(C)C

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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: Methoxyphenols

NP-Likeness score: 1.143

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Chemical structure download