Summary

IMPPAT Phytochemical identifier: IMPHY004341

Phytochemical name: Piperlonguminine

Synonymous chemical names:
piperlonguminine

External chemical identifiers:
CID:5320621, ChEMBL:CHEMBL253973, ChEBI:173942, ZINC:ZINC000001714282, FDASRS:HN39MC8KIO, SureChEMBL:SCHEMBL11441100, MolPort-023-222-353

---

Chemical structure information

SMILES:
CC(CNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C

InChI:
InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+

InChIKey:
WHAAPCGHVWVUEX-GGWOSOGESA-N

DeepSMILES:
CCCNC=O)/C=C/C=C/cccccc6)OCO5)))))))))))))))C

Functional groups:
c/C=C/C=C/C(=O)NC, c1cOCO1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCO2

Scaffold Graph/Node level:
C1CCC2OCOC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzodioxoles

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP-Likeness score: 0.361

---

Chemical structure download