Summary

IMPPAT Phytochemical identifier: IMPHY007463

Phytochemical name: Norsanguinarine

Synonymous chemical names:
norsanguinarine

External chemical identifiers:
CID:97679, ZINC:ZINC000001727527, SureChEMBL:SCHEMBL16125304, MolPort-039-338-524

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Chemical structure information

SMILES:
C1Oc2c(O1)cc1c(c2)ccc2c1ncc1c2ccc2c1OCO2

InChI:
InChI=1S/C19H11NO4/c1-2-12-11-3-4-15-19(24-9-21-15)14(11)7-20-18(12)13-6-17-16(5-10(1)13)22-8-23-17/h1-7H,8-9H2

InChIKey:
CNXVDVMAYXLWPD-UHFFFAOYSA-N

DeepSMILES:
COccO5)cccc6)cccc6nccc6cccc6OCO5

Functional groups:
c1cOCO1, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(cnc3c4cc5c(cc4ccc23)OCO5)c2c1OCO2

Scaffold Graph/Node level:
C1OC2CC3CCC4C5CCC6OCOC6C5CNC4C3CC2O1

Scaffold Graph level:
C1CC2CC3CCC4C(CCC5C6CCCC6CCC54)C3CC2C1

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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: 0.527

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Chemical structure download