Summary

IMPPAT Phytochemical identifier: IMPHY005639

Phytochemical name: Arecoline

Synonymous chemical names:
arecholine, arecoline

External chemical identifiers:
CID:2230, ChEMBL:CHEMBL7303, ChEBI:2814, ZINC:ZINC000052541469, FDASRS:4ALN5933BH, SureChEMBL:SCHEMBL44065

---

Chemical structure information

SMILES:
COC(=O)C1=CCCN(C1)C

InChI:
InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3

InChIKey:
HJJPJSXJAXAIPN-UHFFFAOYSA-N

DeepSMILES:
COC=O)C=CCCNC6)C

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

---

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: Alkaloids

NP-Likeness score: 0.787

---

Chemical structure download