Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010119

Phytochemical name: Glycophymine

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

External chemical identifiers:
CID:CID_135426527, FDASRS:3G8W2A6VAA, Molport-000-489-532|Molport-002-006-549

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Chemical structure information

SMILES:
O=c1[nH]c(Cc2ccccc2)nc2c1cccc2

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=c[nH]cCcccccc6)))))))ncc6cccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]c(Cc2ccccc2)nc2ccccc12

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: -0.947

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Chemical structure download