Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010120

Phytochemical name: 4(1H)-Quinazolinone, 1-methyl-

Synonymous chemical names:
Glycorine, glycorine, 1-methyl-quinazol-4-one(glycorine)

External chemical identifiers:
CID:CID_18992, ZINC:ZINC000001609750, FDASRS:GHK8W83JM1, SureChEMBL:SCHEMBL1304538, MolPort-035-688-091

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Chemical structure information

SMILES:
Cn1cnc(=O)c2c1cccc2

InChI:
InChI=1S/C9H8N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6H,1H3

InChIKey:
QAXCWBIVFCEYGG-UHFFFAOYSA-N

DeepSMILES:
Cncnc=O)cc6cccc6

Functional groups:
cn(C)c, cnc, c=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1nc[nH]c2ccccc12

Scaffold Graph/Node level:
OC1NCNC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Benzodiazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: -0.664

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Chemical structure download