Summary

IMPPAT Phytochemical identifier: IMPHY000071

Phytochemical name: Donaxarine

Synonymous chemical names:
donaxarine, donaxerine

External chemical identifiers:
CID:10955426

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Chemical structure information

SMILES:
CN1CCC2(OC1C)C(=O)Nc1c2cccc1

InChI:
InChI=1S/C13H16N2O2/c1-9-15(2)8-7-13(17-9)10-5-3-4-6-11(10)14-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,14,16)

InChIKey:
YHAQQFNSEZLLPM-UHFFFAOYSA-N

DeepSMILES:
CNCCCOC6C)))C=O)Ncc5cccc6

Functional groups:
COC(C)N(C)C, cNC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Nc2ccccc2C12CCNCO2

Scaffold Graph/Node level:
OC1NC2CCCCC2C12CCNCO2

Scaffold Graph level:
CC1CC2CCCCC2C12CCCCC2

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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: 0.599

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Chemical structure download