Summary

IMPPAT Phytochemical identifier: IMPHY000478

Phytochemical name: Narlumidine

Synonymous chemical names:
narlumidine

Chemical structure information

SMILES:
CN(CCc1cc2OCOc2cc1C(=O)C1OC(=O)c2c1ccc1c2OCO1)C

InChI:
InChI=1S/C21H19NO7/c1-22(2)6-5-11-7-15-16(27-9-26-15)8-13(11)18(23)19-12-3-4-14-20(28-10-25-14)17(12)21(24)29-19/h3-4,7-8,19H,5-6,9-10H2,1-2H3

InChIKey:
IGJQMOASTPRCEK-UHFFFAOYSA-N

DeepSMILES:
CNCCcccOCOc5cc9C=O)COC=O)cc5cccc6OCO5))))))))))))))))))))))))C

Functional groups:
CN(C)C, c1cOCO1, cC(=O)OC, cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC(C(=O)c2ccc3c(c2)OCO3)c2ccc3c(c21)OCO3

Scaffold Graph/Node level:
OC1OC(C(O)C2CCC3OCOC3C2)C2CCC3OCOC3C12

Scaffold Graph level:
CC1CC(C(C)C2CCC3CCCC3C2)C2CCC3CCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

ClassyFire Subclass: Benzofuranones

NP-Likeness score: 0.547

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Chemical structure download