Summary

IMPPAT Phytochemical identifier: IMPHY013850

Phytochemical name: Ethylenimine quinone

Synonymous chemical names:
quinone i

External chemical identifiers:
CID:95715, ChEMBL:CHEMBL72536, ChEBI:19363, ZINC:ZINC000001661246, SureChEMBL:SCHEMBL1676679

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Chemical structure information

SMILES:
O=C1C=C(N2CC2)C(=O)C=C1N1CC1

InChI:
InChI=1S/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2

InChIKey:
RCWJMKCTHJPXJV-UHFFFAOYSA-N

DeepSMILES:
O=CC=CNCC3)))C=O)C=C6NCC3

Functional groups:
O=C1C=C(N2CC2)C(=O)C=C1N1CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(N2CC2)C(=O)C=C1N1CC1

Scaffold Graph/Node level:
OC1CC(N2CC2)C(O)CC1N1CC1

Scaffold Graph level:
CC1CC(C2CC2)C(C)CC1C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP-Likeness score: 0.009

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Chemical structure download