Summary

IMPPAT Phytochemical identifier: IMPHY008082

Phytochemical name: Glycosmicine

Synonymous chemical names:
4-methyl-2,4-dioxo-quinazolin(glycosmicine), glycosmicine

External chemical identifiers:
CID:11788, ZINC:ZINC000000175955, SureChEMBL:SCHEMBL5033267, MolPort-006-345-284

---

Chemical structure information

SMILES:
O=c1[nH]c(=O)n(c2c1cccc2)C

InChI:
InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13)

InChIKey:
RWFOOMQYIRITHL-UHFFFAOYSA-N

DeepSMILES:
O=c[nH]c=O)ncc6cccc6))))))C

Functional groups:
c=O, c[nH]c, cn(c)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]c(=O)c2ccccc2[nH]1

Scaffold Graph/Node level:
OC1NC(O)C2CCCCC2N1

Scaffold Graph level:
CC1CC(C)C2CCCCC2C1

---

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: -0.831

---

Chemical structure download