Summary

IMPPAT Phytochemical identifier: IMPHY014283

Phytochemical name: 4H-1,4-Benzooxazine

Synonymous chemical names:
1,4-benzoxazine

External chemical identifiers:
CID:13999802, SureChEMBL:SCHEMBL224635

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Chemical structure information

SMILES:
C1=CNc2c(O1)cccc2

InChI:
InChI=1S/C8H7NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6,9H

InChIKey:
QDUHQAQMOAHLRW-UHFFFAOYSA-N

DeepSMILES:
C=CNccO6)cccc6

Functional groups:
C1=COccN1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=COc2ccccc2N1

Scaffold Graph/Node level:
C1CCC2OCCNC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzoxazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP-Likeness score: 0.537

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Chemical structure download