Summary

IMPPAT Phytochemical identifier: IMPHY000051

Phytochemical name: Donaxaridine

Synonymous chemical names:
donaxaridine

External chemical identifiers:
CID:10987427

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Chemical structure information

SMILES:
CNCCC1(O)C(=O)Nc2c1cccc2

InChI:
InChI=1S/C11H14N2O2/c1-12-7-6-11(15)8-4-2-3-5-9(8)13-10(11)14/h2-5,12,15H,6-7H2,1H3,(H,13,14)

InChIKey:
ZCPFUYXRGAKFRP-UHFFFAOYSA-N

DeepSMILES:
CNCCCO)C=O)Ncc5cccc6

Functional groups:
CNC, CO, cNC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Cc2ccccc2N1

Scaffold Graph/Node level:
OC1CC2CCCCC2N1

Scaffold Graph level:
CC1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple oxindole alkaloids

NP-Likeness score: 1.005

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Chemical structure download