Summary

IMPPAT Phytochemical identifier: IMPHY004484

Phytochemical name: 3,4-dimethoxy-1-methyl-2H-pyridine

Synonymous chemical names:
arecolidine

External chemical identifiers:
CID:5319882, ZINC:ZINC000013372444

---

Chemical structure information

SMILES:
COC1=C(OC)C=CN(C1)C

InChI:
InChI=1S/C8H13NO2/c1-9-5-4-7(10-2)8(6-9)11-3/h4-5H,6H2,1-3H3

InChIKey:
MYDYIGNXMHUFGM-UHFFFAOYSA-N

DeepSMILES:
COC=COC))C=CNC6)C

Functional groups:
COC1=C(OC)CN(C)C=C1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCNC=C1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Hydropyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.834

---

Chemical structure download