Summary

IMPPAT Phytochemical identifier: IMPHY004353

Phytochemical name: Oxynarcotine

Synonymous chemical names:
nornarceine

External chemical identifiers:
CID:5320347, ZINC:ZINC000014612405, SureChEMBL:SCHEMBL11790808

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Chemical structure information

SMILES:
CNCCc1cc2OCOc2c(c1CC(=O)c1ccc(c(c1C(=O)O)OC)OC)OC

InChI:
InChI=1S/C22H25NO8/c1-23-8-7-12-9-17-21(31-11-30-17)19(28-3)14(12)10-15(24)13-5-6-16(27-2)20(29-4)18(13)22(25)26/h5-6,9,23H,7-8,10-11H2,1-4H3,(H,25,26)

InChIKey:
GLKPKUBRBLNOSC-UHFFFAOYSA-N

DeepSMILES:
CNCCcccOCOc5cc9CC=O)cccccc6C=O)O)))OC)))OC)))))))))OC

Functional groups:
CNC, c1cOCO1, cC(=O)O, cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(Cc1ccc2c(c1)OCO2)c1ccccc1

Scaffold Graph/Node level:
OC(CC1CCC2OCOC2C1)C1CCCCC1

Scaffold Graph level:
CC(CC1CCC2CCCC2C1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP-Likeness score: 0.782

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Chemical structure download