Summary

IMPPAT Phytochemical identifier: IMPHY003253

Phytochemical name: Guvacine

Synonymous chemical names:
guvacine

External chemical identifiers:
CID:3532, ChEMBL:CHEMBL76768, ChEBI:5576, ZINC:ZINC000003872753, FDASRS:41538P325K, SureChEMBL:SCHEMBL336053

---

Chemical structure information

SMILES:
OC(=O)C1=CCCNC1

InChI:
InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)

InChIKey:
QTDZOWFRBNTPQR-UHFFFAOYSA-N

DeepSMILES:
OC=O)C=CCCNC6

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.416

---

Chemical structure download