Summary

IMPPAT Phytochemical identifier: IMPHY006449

Phytochemical name: Narceine imide

Synonymous chemical names:
(z)-narceine imide, narceine imide

External chemical identifiers:
CID:5459241, ChEMBL:CHEMBL1979699, ZINC:ZINC000005851338

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Chemical structure information

SMILES:
COc1c(/C=C/2NC(=O)c3c2ccc(c3OC)OC)c(CCN(C)C)cc2c1OCO2

InChI:
InChI=1S/C23H26N2O6/c1-25(2)9-8-13-10-18-22(31-12-30-18)20(28-4)15(13)11-16-14-6-7-17(27-3)21(29-5)19(14)23(26)24-16/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,26)/b16-11-

InChIKey:
FNVOXTXQQPJYRS-WJDWOHSUSA-N

DeepSMILES:
COcc/C=CNC=O)cc5cccc6OC)))OC)))))))))))cCCNC)C))))ccc6OCO5

Functional groups:
CN(C)C, c/C=C1/ccC(=O)N1, c1cOCO1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NC(=Cc2ccc3c(c2)OCO3)c2ccccc21

Scaffold Graph/Node level:
OC1NC(CC2CCC3OCOC3C2)C2CCCCC12

Scaffold Graph level:
CC1CC(CC2CCC3CCCC3C2)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoindoles and derivatives

ClassyFire Subclass: Isoindolines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.525

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Chemical structure download