Summary

IMPPAT Phytochemical identifier: IMPHY005944

Phytochemical name: Pipercide

Synonymous chemical names:
pipercide, retrofractamide b

External chemical identifiers:
CID:5372162, ChEMBL:CHEMBL257943, ChEBI:174775, SureChEMBL:SCHEMBL2351923

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Chemical structure information

SMILES:
CC(CNC(=O)/C=C/C=C/CCCC/C=C/c1ccc2c(c1)OCO2)C

InChI:
InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8-15,18H,3-5,7,16-17H2,1-2H3,(H,23,24)/b8-6+,11-9+,12-10+

InChIKey:
RPOYGOULCHMVBB-ADDDGJNWSA-N

DeepSMILES:
CCCNC=O)/C=C/C=C/CCCC/C=C/cccccc6)OCO5)))))))))))))))))))))C

Functional groups:
C/C=C/C=C/C(=O)NC, c/C=C/C, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCO2

Scaffold Graph/Node level:
C1CCC2OCOC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzodioxoles

NP-Likeness score: 0.826

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Chemical structure download