Summary

IMPPAT Phytochemical identifier: IMPHY001338

Phytochemical name: Norchelerythrine

Synonymous chemical names:
n-norchelerythrine, norchelerythrine

External chemical identifiers:
CID:443719, ChEMBL:CHEMBL1182694, ChEBI:31917, MolPort-044-754-150

---

Chemical structure information

SMILES:
COc1c(OC)ccc2c1cnc1c2ccc2c1cc1OCOc1c2

InChI:
InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3

InChIKey:
JGUNQXPMULKFNY-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6cncc6cccc6ccOCOc5c9

Functional groups:
c1cOCO1, cOC, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)cnc1c3cc4c(cc3ccc21)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CNC1C3CC4OCOC4CC3CCC21

Scaffold Graph level:
C1CC2CC3CCC4C5CCCCC5CCC4C3CC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.44

---

Chemical structure download