Summary

IMPPAT Phytochemical identifier: IMPHY002263

Phytochemical name: Pipericide

Synonymous chemical names:
pipericide

External chemical identifiers:
CID:101422868

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Chemical structure information

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

InChI:
InChI=1S/C21H27NO3/c1-17(2)22-21(23)12-10-8-6-4-3-5-7-9-11-18-13-14-19-20(15-18)25-16-24-19/h6,8-15,17H,3-5,7,16H2,1-2H3,(H,22,23)/b8-6+,11-9+,12-10+

InChIKey:
OGINASRVRKLXSP-ADDDGJNWSA-N

DeepSMILES:
CCNC=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 Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 0.752

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Chemical structure download