Summary

IMPPAT Phytochemical identifier: IMPHY001518

Phytochemical name: Guvacoline

Synonymous chemical names:
guvacoline, norarecoline

External chemical identifiers:
CID:160492, ChEMBL:CHEMBL268808, ChEBI:80754, ZINC:ZINC000003638105, FDASRS:YT3OF85P98, SureChEMBL:SCHEMBL3019132, MolPort-022-366-584

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Chemical structure information

SMILES:
COC(=O)C1=CCCNC1

InChI:
InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3

InChIKey:
DYPLDWLIOGXSSE-UHFFFAOYSA-N

DeepSMILES:
COC=O)C=CCCNC6

Functional groups:
CC=C(C)C(=O)OC, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.159

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Chemical structure download