Summary

IMPPAT Phytochemical identifier: IMPHY014211

Phytochemical name: Paniculidine C

Synonymous chemical names:
paniculidine c, paniculidines c

External chemical identifiers:
CID:11264158

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Chemical structure information

SMILES:
OCC(CCc1c[nH]c2c1cccc2)C

InChI:
InChI=1S/C13H17NO/c1-10(9-15)6-7-11-8-14-13-5-3-2-4-12(11)13/h2-5,8,10,14-15H,6-7,9H2,1H3

InChIKey:
OJDRKMFRRDQIRV-UHFFFAOYSA-N

DeepSMILES:
OCCCCcc[nH]cc5cccc6)))))))))))C

Functional groups:
CO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: 0.737

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Chemical structure download