Summary

IMPPAT Phytochemical identifier: IMPHY008542

Phytochemical name: Glycophymine

Synonymous chemical names:
2-benzyl-quinazol-4-one(glycosminine), glycophymine, glycosminine

External chemical identifiers:
CID:63121

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Chemical structure information

SMILES:
O=c1nc(Cc2ccccc2)[nH]c2c1cccc2

InChI:
InChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)

InChIKey:
ZDUVLDCZFKNYHH-UHFFFAOYSA-N

DeepSMILES:
O=cncCcccccc6)))))))[nH]cc6cccc6

Functional groups:
c=O, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1nc(Cc2ccccc2)[nH]c2ccccc12

Scaffold Graph/Node level:
OC1NC(CC2CCCCC2)NC2CCCCC12

Scaffold Graph level:
CC1CC(CC2CCCCC2)CC2CCCCC12

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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: -0.853

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Chemical structure download